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COMPLETE Metabolite Library

A complete set of more than 1,299 common metabolite standards that are found in human fluids such as urine, serum, and sweat for analysis with mass spectrometry and NMR technique. Best option to establish a new library in your lab or to expand your in-house collection for targeted and untargeted metabolomics. The metabolites can be used to construct instrument specific spectral library, for making high concentration solutions for spiking, to make high concentration custom solution of pooled metabolites, derivatization, and method development. The standards are compatible with LCMS, GCMS, CEMS, and NMR studies. Each metabolite is provided in a neat format for maximum stability.

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COMPLETE Metabolite Library

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  • List of Metabolites

    1. HMDB0003153, (-)-Epigallocatechin gallate hydrate (CAS 989-51-5)

    2. PUBCHEMCID82229, (-)-Fenchone (CAS 7787-20-4)

    3. HMDB0036078, (-)-Isopulegol (CAS 89-79-2)

    4. HMDB0035100, (-)-Myrtenol (CAS 19894-97-4)

    5. PUBCHEMCID92874, (-)-Verbenone (CAS 1196-01-6)

    6. PUBCHEMCID6431015, (−)-α-Cedrene (CAS 469-61-4)

    7. HMDB0036559, (-)-β-Pinene (CAS 18172-67-3)

    8. HMDB0004487, (+)-(S)-Carvone (CAS 2244-16-8)

    9. HMDB0014394, (+)-5-Iodo-2'-deoxyuridine (CAS 54-42-2)

    10. HMDB0059838, (+)-Camphor (CAS 464-49-3)

    11. HMDB0002780, (+)-Catechin (Hydrate) (CAS 154-23-4)

    12. PUBCHEMCID65575, (+)-Cedrol  (CAS 77-53-2)

    13. PUBCHEMCID7344, (+)-Ethyl D-lactate (CAS 7699-00-5)

    14. HMDB0034932, (+)-Fenchol (CAS 115823)

    15. HMDB0013687, (+)-Nootkatone (CAS 4674-50-4)

    16. HMDB0303943, (+)-Taxifolin (CAS 480-18-2)

    17. HMDB0006525, (+)-α-Pinene (CAS 7785-70-8)

    18. HMDB0035093, (+)-β-Citronellol (CAS 1117-61-9)

    19. HMDB0252138, (+/-)-Evodiamine (CAS 518-18-3)

    20. HMDB0002670, (+/-)-Naringenin (CAS 67604-48-2)

    21. HMDB0059839, (±)-Camphene (CAS 79-92-5)

    22. HMDB0035819, (±)-Isoborneol (CAS 124-76-5)

    23. HMDB0003352, (±)-Menthol (CAS 89-78-1)

    24. HMDB0014312, (±)-α-Lipoic acid (CAS 1077-28-7)

    25. HMDB0001893, (±)-α-Tocopherol (CAS 10191-41-0)

    26. HMDB0000357, (±)-β-Hydroxybutyric acid (CAS 300-85-6)

    27. HMDB0035619, (1S)-(+)-3-Carene (CAS 498-15-7)

    28. HMDB0001491, (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydrate (CAS 853645-22-4)

    29. HMDB0003375, (4R)-4-Isopropenyl-1-methylcyclohexene (CAS 5989-27-5)

    30. HMDB0000555, (R)-(+)-3-Methyladipic acid (CAS 422955)

    31. PUBCHEMCID94220, (R)-(+)-Lactamide (CAS 598-81-2)

    32. HMDB0035604, (R)-(+)-Pulegone  (CAS 89-82-7)

    33. PUBCHEMCID88251, (R)-2-Amino-3-methoxypropanoic acid (CAS 86118-11-8)

    34. HMDB0000011, (R)-3-Hydroxybutyric acid (CAS 625-72-9)

    35. HMDB0002017, (S)-(-)-1-Phenylethylamine (CAS 2627-86-3)

    36. HMDB0000748, (S)-(-)-2-Hydroxy-3-phenylpropionic acid (CAS 20312-36-1)

    37. HMDB0035842, (S)-(-)-Citronellal (CAS 1478991)

    38. HMDB0004321, (S)-(−)-Limonene (CAS 5989-54-8)

    39. HMDB0004586, (S)-(−)-Perillic acid (CAS 23635-14-5)

    40. HMDB0003634, (S)-(-)-Perillyl alcohol (CAS 18457-55-1)

    41. PUBCHEMCID643511, (S)-(+)-5-Hydroxymethyl-2-pyrrolidinone (CAS 17342-08-4)

    42. HMDB0035140, (S)-(+)-Abscisic Acid (CAS 21293-29-8)

    43. PUBCHEMCID87839, (S)-cis-Verbenol ( Low purity don't use) (CAS 18881-04-4)

    44. HMDB0034223, 1,2,3,4,6-Penta-O-acetyl-beta-D-glucose (CAS 604-69-3)

    45. HMDB0046381, 1,2,3-Tridocosanoyl-rac-glycerol (CAS 18641-57-1)

    46. HMDB0031125, 1,2,3-Trihexanoyl-rac-glycerol (CAS 621-70-5)

    47. HMDB0011188, 1,2,3-Trilauroyl-rac-glycerol (CAS 538-24-9)

    48. PUBCHEMCID12642, 1,2,3-Trimethoxybenzene (CAS 634-36-6)

    49. HMDB0042061, 1,2,3-Trimyristoyl-rac-glycerol (CAS 555-45-3)

    50. HMDB0011187, 1,2,3-Trioctanoyl-rac-glycerol (CAS 538-23-8)

    51. HMDB0005453, 1,2,3-Trioleoyl-rac-glycerol (CAS 122-32-7)

    52. HMDB0005393, 1,2,3-Tristearoyl-rac-glycerol (CAS 555-43-1)

    53. HMDB0031110, 1,2,3-Tritridecanoyl-rac-glycerol (CAS 26536-12-9)

    54. PUBCHEMCID10787, 1,2,4-Trihydroxybenzene (CAS 533-73-3)

    55. PUBCHEMCID67284, 1,2,4-Trimethoxybenzene (CAS 135-77-3)

    56. HMDB0007866, 1,2-Dimyristoyl-sn-glycero-3-PC (CAS 18194-24-6)

    57. HMDB0008821, 1,2-Dimyristoyl-sn-glycero-3-PE (CAS 998-07-2)

    58. HMDB0000674, 1,2-Dipalmitoyl-sn-glycero-3-phosphate monosodium salt (CAS 169051-60-9)

    59. HMDB0007158, 1,2-Distearoyl-sn-glycerol (CAS 10567-21-2)

    60. PUBCHEMCID102548, 1,2-o-Dihexadecyl-Sn-glycerol (CAS 67337-03-5)

    61. HMDB0001881, 1,2-Propanediol (CAS 57-55-6)

    62. HMDB0059963, 1,3,5-Trimethoxybenzene (CAS 621-23-8)

    63. HMDB0000002, 1,3-Diaminopropane (CAS 109-76-2)

    64. HMDB0002144, 1,3-Dimethyluracil (CAS 874-14-6)

    65. HMDB0001414, 1,4-Diaminobutane dihydrochloride (CAS 333-93-7)

    66. HMDB0041971, 1,4-Dichlorobenzene (CAS 106-46-7)

    67. PUBCHEMCID9016, 1,4-Dimethoxybenzene (CAS 150-78-7)

    68. PUBCHEMCID74300, 10-Hydroxydecanoic acid (CAS 1679-53-4)

    69. HMDB0031016, 10-Undecen-1-ol (CAS 112-43-6)

    70. HMDB0001926, 17α-Ethynylestradiol (CAS 57-63-6)

    71. HMDB0031404, 1-Aminocyclohexane (CAS 108-91-8)

    72. HMDB0036458, 1-Aminocyclopropanecarboxylic acid (CAS 22059-21-8)

    73. HMDB0004327, 1-Butanol (CAS 71-36-3)

    74. HMDB0011624, 1-Decanol (CAS 112-30-1)

    75. HMDB0014770, 1-Docosanol (CAS 661-19-8)

    76. HMDB0011626, 1-Dodecanol (CAS 112-53-8)

    77. HMDB0030204, 1-Furfurylpyrrole (CAS 1438-94-4)

    78. HMDB0031479, 1-Heptanol (CAS 111-70-6)

    79. HMDB0003424, 1-Hexadecanol (CAS 36653-82-4)

    80. HMDB0012971, 1-Hexanol (CAS 111-27-3)

    81. HMDB0029736, 1H-Imidazole-1-acetic acid (CAS 22884-10-2)

    82. HMDB0032074, 1-Methoxy-2-methylbenzene (CAS 578-58-5)

    83. HMDB0003646, 1-Methyl-hydantoin (CAS 616-04-6)

    84. HMDB0032860, 1-Methylnaphthalene (CAS 90-12-0)

    85. HMDB0000699, 1-Methylnicotinamide chloride (CAS 1005-24-9)

    86. PUBCHEMCID8454, 1-Methylpyrrolidine (CAS 120-94-5)

    87. HMDB0011530, 1-Myristoyl-rac-glycerol (CAS 589-68-4)

    88. HMDB0012138, 1-Naphthol (CAS 90-15-3)

    89. PUBCHEMCID80281, 1-Nonadecanol (CAS 1454-84-8)

    90. HMDB0059835, 1-Nonanal (CAS 124-19-6)

    91. HMDB0001183, 1-Octanol (CAS 111-87-5)

    92. HMDB0011567, 1-Oleoyl Glycerol (CAS 111-03-5)

    93. HMDB0013036, 1-Pentanol (CAS 71-41-0)

    94. HMDB0035243, 1-Phenyl-1,2-propanedione (CAS 579-07-7)

    95. HMDB0031627, 1-Phenyl-1-propanol (CAS 93-54-9)

    96. HMDB0032620, 1-Phenylethyl acetate (CAS 93-92-5)

    97. HMDB0011638, 1-Tetradecanol (CAS 112-72-1)

    98. HMDB0013113, 1-Undecanol (CAS 112-42-5)

    99. HMDB0000678, 2-(3-Methylbutanamido)acetic acid (CAS 16284-60-9)

  • List of compounds (continued)

    100. HMDB0041683, 2-(4-Hydroxyphenyl)propionic Acid (CAS 938-96-5)

    101. PUBCHEMCID150866, 2-(4-Methylphenyl)propionic acid (CAS 938-94-3)

    102. HMDB0003269, 2-(Nicotinamido)acetic acid (CAS 583-08-4)

    103. HMDB0002074, 2,2-Dimethylsuccinic acid (CAS 597-43-3)

    104. HMDB0059964, 2,3,4-Trihydroxybenzoic acid (CAS 610-02-6)

    105. HMDB0036584, 2,3,5,6-Tetramethylpyrazine (CAS 1124-11-4)

    106. HMDB0003156, 2,3-Butanediol (mixture of isomers) (CAS 513-85-9)

    107. HMDB0041253, 2,3-Diethylpyrazine (CAS 15707-24-1)

    108. HMDB0000397, 2,3-Dihydroxybenzoic acid (CAS 303-38-8)

    109. PUBCHEMCID66581, 2,3-Dimethoxybenzaldehyde (CAS 86-51-1)

    110. HMDB0032971, 2,3-Dimethylpyrazine (CAS 5910-89-4)

    111. HMDB0000232, 2,3-Pyridinedicarboxylic acid (CAS 89-00-9)

    112. HMDB0032015, 2,4,5-Trimethylbenzaldehyde (CAS 5779-72-6)

    113. HMDB0029644, 2',4',6'-Trihydroxyacetophenone (CAS 480-66-0)

    114. PUBCHEMCID15684, 2,4-dichlorobenzyl alcohol (CAS 1777-82-8)

    115. HMDB0029657, 2',4'-Dihydroxyacetophenone (CAS 89-84-9)

    116. HMDB0029666, 2,4-Dihydroxybenzoic Acid (CAS 89-86-1)

    117. PUBCHEMCID90301, 2,4-Dihydroxypyrimidine-5-carboxylic acid (CAS 23945-44-0)

    118. HMDB0032140, 2',4'-Dimethylacetophenone (CAS 89-74-7)

    119. HMDB0032142, 2,4-Dimethylbenzaldehyde (CAS 15764-16-6)

    120. HMDB0032629, 2',5'-Dihydroxyacetophenone (CAS 490-78-8)

    121. HMDB0004062, 2,5-Dihydroxybenzaldehyde (CAS 1194-98-5)

    122. HMDB0000152, 2,5-Dihydroxybenzoic acid (CAS 490-79-9)

    123. HMDB0032233, 2,5-Dimethyl-2,3-dihydrofuran-3-one (CAS 14400-67-0)

    124. HMDB0040594, 2,5-Dimethyl-4-hydroxy-3(2H)-furanone (CAS 3658-77-3)

    125. HMDB0033182, 2,5-Dimethylfuran (CAS 625-86-5)

    126. HMDB0004812, 2,5-Furandicarboxylic acid (CAS 3238-40-2)

    127. HMDB0001370, 2,6-Diaminopimelic Acid (CAS 583-93-7)

    128. HMDB0032782, 2,6-Diethylaniline (CAS 579-66-8)

    129. HMDB0029660, 2',6'-Dihydroxyacetophenone (CAS 699-83-2)

    130. HMDB0013676, 2,6-Dihydroxybenzoic acid (CAS 303-07-1)

    131. PUBCHEMCID3084068, 2,6-Dihydroxypyridine HCl (CAS 10357-84-3)

    132. HMDB0029680, 2,6-Dimethoxy-4-methylphenol (CAS 1730647)

    133. HMDB0029273, 2,6-Dimethoxybenzoic acid (CAS 1466-76-8)

    134. HMDB0034158, 2,6-Dimethoxyphenol (CAS 33512)

    135. HMDB0060677, 2,6-Dimethylaniline (CAS 87-62-7)

    136. PUBCHEMCID11335, 2,6-Dimethylphenol (CAS 576-26-1)

    137. HMDB0035248, 2,6-Dimethylpyrazine (CAS 108-50-9)

    138. HMDB0032972, 2,6-Dimethylpyridine (CAS 108-48-5)

    139. HMDB0033826, 2,6-Di-tert-butyl-4-methylphenol (CAS 128-37-0)

    140. HMDB0033161, 2,6-Pyridinedicarboxylic acid (CAS 499-83-2)

    141. HMDB0000085, 2′-Deoxyguanosine (CAS 961-07-9)

    142. HMDB0001879, 2-Acetoxybenzoic acid (CAS 50-78-2)

    143. HMDB0035226, 2-Acetyl-5-methylfuran (CAS 1193-79-9)

    144. HMDB0033127, 2-Acetylfuran (CAS 1192-62-7)

    145. PUBCHEMCID81131, 2-Acetylphenothiazine (CAS 6631-94-3)

    146. HMDB0031861, 2-Acetylpyrazine (CAS 22047-25-2)

    147. HMDB0035882, 2-Acetylpyrrole (CAS 1072-83-9)

    148. PUBCHEMCID15624, 2-Allylphenol (CAS 1745-81-9)

    149. PUBCHEMCID974, 2-Amino-2-oxoacetic acid (CAS 471-47-6)

    150. PUBCHEMCID6926, 2-Aminobenzenesulfonic acid (CAS 88-21-1)

    151. HMDB0000149, 2-Aminoethanol hydrochloride (CAS 2002-24-6)

    152. HMDB0001906, 2-Aminoisobutyric acid (CAS 62-57-7)

    153. PUBCHEMCID5801, 2-Aminophenol (CAS 95-55-6)

    154. HMDB0011469, 2-Butanol (CAS 78-92-2)

    155. HMDB0000101, 2'-Deoxyadenosine (CAS 958-09-8)

    156. HMDB0000905, 2'-Deoxyadenosine-5'-monophosphate (CAS 653-63-4)

    157. HMDB0000014, 2'-Deoxycytidine (CAS 951-77-9)

    158. HMDB0062477, 2-Deoxy-D-glucose (CAS 154-17-6)

    159. HMDB0003224, 2-Deoxy-D-ribose (CAS 533-67-5)

    160. HMDB0001044, 2'-Deoxyguanosine 5'-monophosphate (sodium salt hydrate) (CAS 146877-98-7)

    161. HMDB0000071, 2'-Deoxyinosine (CAS 890-38-0)

    162. HMDB0000012, 2'-Deoxyuridine (CAS 951-78-0)

    163. HMDB0031019, 2-Dodecanone (CAS 6175-49-1)

    164. PUBCHEMCID592401, 2-Ethoxyisonicotinic acid (CAS 91940-86-2)

    165. PUBCHEMCID66755, 2-Ethoxyphenol (CAS 94-71-3)

    166. HMDB0031735, 2-Ethyl-3-hydroxy-4H-pyran-4-one (CAS 1110651)

    167. HMDB0031221, 2-Ethylbutyric Acid (CAS 32391)

    168. HMDB0040587, 2-Ethylfuran (CAS 3208-16-0)

    169. HMDB0031849, 2-Ethylpyrazine (CAS 13925-00-3)

    170. PUBCHEMCID1549521, 2-Furanacrolein (CAS 623-30-3)

    171. HMDB0000617, 2-Furoic acid (CAS 88-14-2)

    172. HMDB0003671, 2-Heptanone (CAS 110-43-0)

    173. HMDB0005842, 2-Hexanone (CAS 591-78-6)

    174. HMDB0001987, 2-Hydroxy-2-methylbutyric acid (CAS 3739-30-8)

    175. HMDB0037115, 2-Hydroxy-4-(methylthio)butyric acid calcium salt (CAS 4857-44-7)

    176. HMDB0032603, 2-Hydroxy-4-methylbenzaldehyde (CAS 698-27-1)

    177. HMDB0032568, 2'-Hydroxyacetophenone (CAS 118-93-4)

    178. HMDB0034170, 2-Hydroxybenzaldehyde (CAS 32912)

    179. HMDB0059709, 2-Hydroxybenzyl alcohol (CAS 32880)

    180. HMDB0003903, 2-Hydroxyethanesulfonic acid sodium salt (CAS 1562-00-1)

    181. HMDB0000729, 2-Hydroxyisobutyric acid (CAS 594-61-6)

    182. HMDB0000711, 2-Hydroxyoctanoic acid (CAS 617-73-2)

    183. HMDB0013751, 2-Hydroxypyridine (CAS 142-08-5)

    184. HMDB0000005, 2-Ketobutyric acid sodium salt (CAS 2013-26-5)

    185. PUBCHEMCID9855465, 2-Methoxy-2-methylpropanoic acid (CAS 13836-62-9)

    186. PUBCHEMCID14519, 2-Methoxy-5-methylphenol (CAS 1195-09-1)

    187. HMDB0032569, 2-Methoxyacetophenone (CAS 579-74-8)

    188. HMDB0033766, 2-Methoxybenzaldehyde (CAS 135-02-4)

    189. PUBCHEMCID11370, 2-Methoxybenzoic acid (CAS 579-75-9)

    190. HMDB0033830, 2-Methoxycinnamaldehyde (CAS 1504-74-1)

    191. HMDB0031178, 2-Methyl tetrahydro-3-furanone (CAS 3188-00-9)

    192. HMDB0031527, 2-Methyl-1-butanol (CAS 137-32-6)

    193. HMDB0006006, 2-Methyl-1-propanol (CAS 78-83-1)

    194. HMDB0005846, 2-Methyl-3-Pentanone (CAS 565-69-5)

    195. HMDB0013749, 2-Methylfuran (CAS 534-22-5)

    196. HMDB0000422, 2-Methylglutaric acid (CAS 18069-17-5)

    197. HMDB0031587, 2-Methylheptanoic acid (CAS 1188-02-9)

    198. HMDB0031594, 2-Methylhexanoic acid (CAS 4536-23-6)

    199. HMDB0011723, 2-Methylhippuric acid (CAS 42013-20-7)

    200. HMDB0000202, 2-Methylmalonic acid (CAS 516-05-2)

  • List of compounds (continued)

    201. HMDB0031158, 2-Methylpent-4-enoic acid (CAS 1575-74-2)

    202. HMDB0001844, 2-Methylsuccinic acid (CAS 498-21-5)

    203. HMDB0031578, 2-Methylvaleraldehyde (CAS 123-15-9)

    204. HMDB0012322, 2-Naphthol (CAS 135-19-3)

    205. HMDB0031327, 2-n-Butoxyethanol (CAS 111-76-2)

    206. HMDB0031266, 2-Nonanone (CAS 821-55-6)

    207. HMDB0000832, 2-Octanamidoacetic acid (CAS 14246-53-8)

    208. HMDB0000205, 2-Oxo-3-phenylpropanoic acid (CAS 156-06-9)

    209. HMDB0000208, 2-Oxoglutaric acid (CAS 328-50-7)

    210. HMDB0034235, 2-Pentanone (CAS 107-87-9)

    211. HMDB0031628, 2-Phenyl-1-propanol (CAS 1123-85-9)

    212. PUBCHEMCID12053, 2-Phenyl-2-propanol (CAS 617-94-7)

    213. HMDB0010715, 2-Phenylacetamide (CAS 103-81-1)

    214. HMDB0000329, 2-Phenylbutyric acid (CAS 90-27-7)

    215. HMDB0033944, 2-Phenylethanol (CAS 22258)

    216. HMDB0012275, 2-Phenylethylamine (CAS 64-04-0)

    217. PUBCHEMCID7017, 2-Phenylphenol (CAS 90-43-7)

    218. HMDB0002243, 2-Picolinic acid (CAS 98-98-6)

    219. PUBCHEMCID75569, 2-Picolinic acid methyl ester (CAS 204359)

    220. HMDB0011749, 2-Piperidinone (CAS 675-20-7)

    221. HMDB0006804, 2-Propynoic acid (CAS 471-25-0)

    222. HMDB0002039, 2-Pyrrolidinone (CAS 616-45-5)

    223. HMDB0034148, 2-Tridecanone (CAS 593-08-8)

    224. HMDB0033713, 2-Undecanone (CAS 112-12-9)

    225. PUBCHEMCID30938, 3-(2-Methylphenyl)propanoic acid (CAS 22084-89-5)

    226. HMDB0000423, 3-(3,4-Dihydroxyphenyl)propanoic acid (CAS 1078-61-1)

    227. HMDB0000375, 3-(3-Hydroxyphenyl)propionic Acid (CAS 621-54-5)

    228. HMDB0011751, 3-(3-Methoxyphenyl)propionic acid (CAS 10516-71-9)

    229. PUBCHEMCID259624, 3-(3-Pyridyl)propionic acid (CAS 3724-19-4)

    230. HMDB0062121, 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid (CAS 1135-23-5)

    231. HMDB0002199, 3-(4-Hydroxyphenyl)propionic acid (CAS 501-97-3)

    232. PUBCHEMCID228987, 3-(4-tert-Butylphenyl)isobutyraldehyde (CAS 80-54-6)

    233. PUBCHEMCID239828, 3-(Dimethylamino)propanoic acid hydrochloride (CAS 14788-12-6)

    234. PUBCHEMCID70286, 3-(Furan-2-yl)propanoic acid (CAS 935-13-7)

    235. HMDB0001527, 3-(Methylthio) propionic acid (CAS 646-01-5)

    236. PUBCHEMCID667639, 3,3',4,5'-Tetrahydroxy-trans-stilbene (CAS 10083-24-6)

    237. HMDB0029492, 3,3',4',7-Tetrahydroxyflavone (CAS 528-48-3)

    238. HMDB0000265, 3,3',5-Triiodo-L-thyronine (CAS 1823692)

    239. HMDB0000509, 3,3-Dimethylacrylic acid (CAS 541-47-9)

    240. HMDB0002441, 3,3-Dimethylglutaric acid (CAS 4839-46-7)

    241. PUBCHEMCID77449, 3,4,5-Trimethoxybenzyl alcohol (CAS 3840-31-1)

    242. HMDB0002511, 3,4,5-Trimethoxycinnamic acid (CAS 90-50-6)

    243. PUBCHEMCID5388063, 3,4',5-Trimethoxystilbene (CAS 22255-22-7)

    244. HMDB0030564, 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside (CAS 65914-17-2)

    245. HMDB0029661, 3',4'-Dihydroxyacetophenone (CAS 1197-09-7)

    246. HMDB0059965, 3,4-Dihydroxybenzaldehyde (CAS 139-85-5)

    247. HMDB0001336, 3,4-Dihydroxybenzeneacetic acid (CAS 102-32-9)

    248. HMDB0001856, 3,4-Dihydroxybenzoic acid (CAS 99-50-3)

    249. HMDB0000181, 3,4-Dihydroxy-L-phenylalanine (CAS 59-92-7)

    250. HMDB0032138, 3,4-Dimethoxybenzaldehyde (CAS 120-14-9)

    251. HMDB0059763, 3,4-Dimethoxybenzoic acid (CAS 34152)

    252. HMDB0034315, 3,4-Dimethoxycinnamic acid (CAS 2316-26-9)

    253. HMDB0031492, 3,4-Hexanedione (CAS 4437-51-8)

    254. PUBCHEMCID10322, 3,4-Methylenedioxybenzyl alcohol (CAS 495-76-1)

    255. HMDB0013677, 3,5-Dihydroxybenzoic acid (CAS 36438)

    256. PUBCHEMCID34661, 3,5-Dihydroxybenzyl alcohol (CAS 29654-55-5)

    257. HMDB0000582, 3,5-Diiodo-L-thyronine (CAS 1041-01-6)

    258. HMDB0003474, 3,5-Diiodo-L-tyrosine (CAS 300-39-0)

    259. HMDB0059966, 3,5-Dimethoxyphenol (CAS 500-99-2)

    260. HMDB0002019, 3,7,11,15-Tetramethylhexadec-2-en-1-ol (CAS 7541-49-3)

    261. HMDB0035411, 3,7-Dimethyl-1-octanol (CAS 106-21-8)

    262. HMDB0003831, 3-Amino-3-(4-hydroxyphenyl)propionic acid (CAS 6049-54-3)

    263. HMDB0001885, 3-Chloro-L-Tyrosine (CAS 7423-93-0)

    264. HMDB0029665, 3-Ethoxy-4-hydroxybenzaldehyde (CAS 121-32-4)

    265. HMDB0000444, 3-Furoic acid (CAS 488-93-7)

    266. HMDB0013222, 3-Guanidinopropionic (CAS 353-09-3)

    267. HMDB0003243, 3-Hydroxy-2-butanone (CAS 513-86-0)

    268. HMDB0030776, 3-Hydroxy-2-methyl-4-pyrone (CAS 118-71-8)

    269. HMDB0013188, 3-Hydroxy-2-pyridinecarboxylic acid (CAS 874-24-8)

    270. HMDB0000754, 3-Hydroxy-3-methylbutanoic acid (CAS 625-08-1)

    271. PUBCHEMCID12127, 3-Hydroxy-4-methoxybenzaldehyde (CAS 621-59-0)

    272. PUBCHEMCID8487, 3-Hydroxyacetophenone (CAS 121-71-1)

    273. PUBCHEMCID101, 3-Hydroxybenzaldehyde (CAS 100-83-4)

    274. HMDB0002466, 3-Hydroxybenzoic acid (CAS 36320)

    275. HMDB0059712, 3-Hydroxybenzyl alcohol (CAS 620-24-6)

    276. HMDB0031816, 3-Hydroxyflavone (CAS 577-85-5)

    277. HMDB0000440, 3-Hydroxyphenylacetic acid (CAS 621-37-4)

    278. HMDB0000700, 3-Hydroxypropionic acid (CAS 503-66-2)

    279. PUBCHEMCID7971, 3-Hydroxypyridine (CAS 109-00-2)

    280. HMDB0006524, 3-Indoleacetonitrile (CAS 771-51-7)

    281. HMDB0002096, 3-Indolebutyric acid (CAS 133-32-4)

    282. HMDB0002302, 3-Indolepropionic acid (CAS 830-96-6)

    283. HMDB0000021, 3-Iodotyrosine (CAS 70-78-0)

    284. PUBCHEMCID81437, 3-Methoxybenzyl alcohol (CAS 6971-51-3)

    285. HMDB0059969, 3-Methoxyphenylacetic acid (CAS 1798-09-0)

    286. PUBCHEMCID134442, 3-Methoxypropanoic acid (CAS 235370)

    287. HMDB0000022, 3-Methoxytyramine HCl (CAS 1477-68-5)

    288. HMDB0006007, 3-Methyl-1-butanol (CAS 123-51-3)

    289. HMDB0030124, 3-Methyl-2-buten-1-ol (CAS 556-82-1)

    290. PUBCHEMCID150923, 3-Methyl-2-oxindole (CAS 1504-06-9)

    291. HMDB0000491, 3-Methyl-2-oxovaleric acid calcium salt (CAS 66872-75-1)

    292. PUBCHEMCID10930, 3-Methylbutyramide (CAS 541-46-8)

    293. HMDB0034181, 3-Methylcyclopentadecanone (CAS 541-91-3)

    294. HMDB0000752, 3-Methylglutaric acid (CAS 626-51-7)

    295. HMDB0000466, 3-Methylindole (CAS 83-34-1)

    296. HMDB0002390, 3-Methylsalicylic acid (CAS 83-40-9)

    297. HMDB0033774, 3-Methylvaleric acid (CAS 105-43-1)

    298. HMDB0001886, 3-Methylxanthine (CAS 1076-22-8)

    299. HMDB0001904, 3-Nitro-L-tyrosine (CAS 621-44-3)

    300. HMDB0013701, 3-Oxopentanedioic acid (CAS 542-05-2)

  • List of compounds (continued)

    301. HMDB0002523, 3-Oxotetrahydrofuran (CAS 22929-52-8)

    302. HMDB0000026, 3-Ureidopropionic acid (CAS 462-88-4)

    303. HMDB0033128, 4-(2-Furyl)-3-buten-2-one (CAS 623-15-4)

    304. HMDB0033723, 4-(4-Hydroxyphenyl)-2-butanone (CAS 5471-51-2)

    305. HMDB0003681, 4-(Acetylamino)butanoic acid (CAS 3025-96-5)

    306. HMDB0041808, 4,4'-Methylenedianilin (CAS 101-77-9)

    307. HMDB0031306, 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one (CAS 28664-35-9)

    308. HMDB0032976, 4,5-Dimethylthiazole (CAS 3581-91-7)

    309. HMDB0032608, 4-Acetyltoluene (CAS 122-00-9)

    310. HMDB0034121, 4-Allylanisole (CAS 140-67-0)

    311. HMDB0001392, 4-Aminobenzoic acid (CAS 150-13-0)

    312. PUBCHEMCID69331, 4-Aminobenzyl alcohol (CAS 623-04-1)

    313. HMDB0001169, 4-Aminophenol (CAS 123-30-8)

    314. HMDB0014378, 4-Aminosalicylic acid (CAS 65-49-6)

    315. HMDB0029300, 4-Anisidine (CAS 104-94-9)

    316. PUBCHEMCID2723, 4-Chloro-3,5-dimethylphenol (CAS 88-04-0)

    317. HMDB0033970, 4-Ethoxybenzaldehyde (CAS 10031-82-0)

    318. HMDB0032024, 4-Ethylbenzaldehyde (CAS 4748-78-1)

    319. HMDB0040175, 4-Ethylguaiacol (CAS 2785-89-9)

    320. HMDB0036136, 4-Ethyloctanoic acid (CAS 16493-80-4)

    321. HMDB0029306, 4-Ethylphenol (CAS 123-07-9)

    322. HMDB0003464, 4-Guanidinobutyric acid (CAS 463-00-3)

    323. PUBCHEMCID62348, 4-Hydroxy-3-methoxybenzyl alcohol (CAS 498-00-0)

    324. HMDB0000954, 4-Hydroxy-3-methoxycinnamic acid (CAS 1135-24-6)

    325. HMDB0000118, 4-Hydroxy-3-methoxyphenylacetic acid (CAS 306-08-1)

    326. HMDB0004815, 4-hydroxy-3-methylbenzoic acid (CAS 499-76-3)

    327. PUBCHEMCID7469, 4-Hydroxyacetophenone (CAS 99-93-4)

    328. HMDB0011718, 4-Hydroxybenzaldehyde (CAS 123-08-0)

    329. HMDB0000500, 4-Hydroxybenzoic acid (CAS 99-96-7)

    330. PUBCHEMCID125, 4-Hydroxybenzyl alcohol (CAS 623-05-2)

    331. HMDB0032584, 4'-Hydroxychalcone (CAS 2657-25-2)

    332. HMDB0137904, 4-Hydroxycoumarin (CAS 1076-38-6)

    333. HMDB0000822, 4-Hydroxymandelic acid monohydrate (CAS 184901-84-6)

    334. HMDB0004284, 4-Hydroxyphenethyl alcohol (CAS 501-94-0)

    335. HMDB0000020, 4-Hydroxyphenylacetic acid (CAS 156-38-7)

    336. HMDB0000707, 4-Hydroxyphenylpyruvic acid (CAS 156-39-8)

    337. PUBCHEMCID69141, 4-Hydroxyquinoline (CAS 611-36-9)

    338. HMDB0032025, 4'-Isopropylacetophenone (CAS 645-13-6)

    339. HMDB0062481, 4-Isopropylaniline (CAS 99-88-7)

    340. HMDB0002214, 4-Isopropylbenzaldehyde (CAS 122-03-2)

    341. HMDB0031817, 4-Isopropylbenzyl alcohol (CAS 536-60-7)

    342. HMDB0034230, 4-Methoxy-2,5-dimethyl-3(2H)-furanone (CAS 4077-47-8)

    343. HMDB0032570, 4-Methoxyacetophenone (CAS 100-06-1)

    344. HMDB0034241, 4-Methoxybenzyl alcohol (CAS 105-13-5)

    345. HMDB0140294, 4-Methoxymandelic acid (CAS 10502-44-0)

    346. HMDB0002072, 4-Methoxyphenylacetic acid (CAS 104-01-8)

    347. PUBCHEMCID31231, 4-Methoxyphenylacetone (CAS 122-84-9)

    348. PUBCHEMCID67144, 4'-Methoxypropiophenone (CAS 121-97-1)

    349. HMDB0036097, 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran (CAS 16409-43-1)

    350. HMDB0000695, 4-methyl-2-Oxovalerate (sodium salt) (CAS 4502-00-5)

    351. HMDB0002939, 4-Methyl-2-pentanone (CAS 108-10-1)

    352. HMDB0032076, 4-Methylanisole (CAS 104-93-8)

    353. HMDB0000873, 4-Methylcatechol (CAS 452-86-8)

    354. HMDB0031540, 4-Methylcyclohexanone (CAS 589-92-4)

    355. HMDB0032136, 4-Methylguaiacol (CAS 93-51-6)

    356. HMDB0013292, 4-Methylhippuric acid (CAS 27115-50-0)

    357. HMDB0031557, 4-Methyl-n-octanoic acid (CAS 54947-74-9)

    358. PUBCHEMCID3406, 4-Methylpyrazole (CAS 7554-65-6)

    359. HMDB0001232, 4-Nitrophenol (CAS 100-02-7)

    360. HMDB0032625, 4-n-propylphenol (CAS 645-56-7)

    361. HMDB0031602, 4-Pentenoic acid (CAS 591-80-0)

    362. HMDB0031866, 4-Phenyl-2-butanol (CAS 2344-70-9)

    363. HMDB0000543, 4-Phenylbutyric acid (CAS 1821-12-1)

    364. HMDB0000017, 4-Pyridoxic Acid (CAS 82-82-6)

    365. HMDB0034355, 5-(Hydroxymethyl)furfural (CAS 67-47-0)

    366. HMDB0000469, 5-(Hydroxymethyl)uracil (CAS 4433-40-3)

    367. HMDB0033154, 5,6,7,8-Tetrahydroquinoxaline (CAS 34413-35-9)

    368. HMDB0001253, 5,6-Dihydroxy-1H-indole-2-carboxylic acid (CAS 1055767)

    369. HMDB0004058, 5,6-Dihydroxyindole (CAS 3131-52-0)

    370. HMDB0003701, 5,6-Dimethylbenzimidazole (CAS 582-60-5)

    371. HMDB0136758, 5,7-Dihydroxy-4-methylcoumarin (CAS 2107-76-8)

    372. HMDB0003192, 5-Aminoimidazole-4-carboxamide (CAS 360-97-4)

    373. HMDB0001149, 5-Aminolevulinic acid hydrochloride (CAS 1297222)

    374. HMDB0014389, 5-Aminosalicylic acid (CAS 89-57-6)

    375. HMDB0003355, 5-Aminovaleric acid (CAS 660-88-8)

    376. HMDB0033551, 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone (not clean) (CAS 698-10-2)

    377. PUBCHEMCID304590, 5-Formyluracil (CAS 1195-08-0)

    378. HMDB0000763, 5-Hydroxyindole-3-acetic acid (CAS 54-16-0)

    379. HMDB0002432, 5-Hydroxymethyl-2-furancarboxylic acid (CAS 6338-41-6)

    380. PUBCHEMCID10953582, 5-Methoxy-2-methylphenol (CAS 20734-74-1)

    381. HMDB0030637, 5-Methoxypsoralen (CAS 484-20-8)

    382. HMDB0001868, 5-Methoxysalicylic acid (CAS 260088)

    383. HMDB0004095, 5-Methoxytryptamine (CAS 608-07-1)

    384. PUBCHEMCID440055, 5-Methyl-2'-deoxycytidine (CAS 838-07-3)

    385. HMDB0000982, 5-Methylcytidine (CAS 2140-61-6)

    386. HMDB0002894, 5-Methylcytosine (CAS 554-01-8)

    387. HMDB0033178, 5-Methylquinoxaline (CAS 13708-12-8)

    388. HMDB0000884, 5-Methyluridine (CAS 1463-10-1)

    389. HMDB0002043, 5-Phenylpentanoic acid (CAS 2270-20-4)

    390. HMDB0000253, 5-Pregnen-3β-ol-20-one (CAS 145-13-1)

    391. HMDB0030819, 6,7-Dihydroxycoumarin (CAS 305-01-1)

    392. HMDB0001901, 6-Aminocaproic acid (CAS 60-32-2)

    393. HMDB0002658, 6-Hydroxynicotinic acid (CAS 5006-66-6)

    394. PUBCHEMCID592499, 6-Methoxynicotinic acid (CAS 66572-55-2)

    395. HMDB0032394, 6-Methylcoumarin (CAS 92-48-8)

    396. HMDB0033115, 6-Methylquinoline (CAS 91-62-3)

    397. HMDB0000032, 7-Dehydrocholesterol (CAS 434-16-2)

    398. HMDB0029865, 7-Hydroxycoumarin (CAS 93-35-6)

    399. HMDB0000897, 7-Methylguanine (CAS 578-76-7)

    400. PUBCHEMCID66085, 8-Aminooctanoic acid (CAS 1002-57-9)

  • List of compounds (continued)

    401. PUBCHEMCID111470, 8-Methyl nonanoic acid (CAS 5963-14-4)

    402. PUBCHEMCID10569, Abietic Acid (CAS 514-10-3)

    403. PUBCHEMCID5280442, Acacetin (CAS 480-44-4)

    404. HMDB0014429, Acarbose hydrate (CAS 56180-94-0)

    405. HMDB0033585, Acesulfame potassium (CAS 55589-62-3)

    406. HMDB0031645, Acetamide (CAS 60-35-5)

    407. HMDB0001859, Acetaminophen (CAS 103-90-2)

    408. HMDB0033910, Acetophenone (CAS 98-86-2)

    409. PUBCHEMCID2214, Acetovanillone (CAS 498-02-2)

    410. HMDB0000895, Acetylcholine chloride (CAS 60-31-1)

    411. PUBCHEMCID132213, Acetyl-D-alanine (CAS 19436-52-3)

    412. HMDB0014925, Aciclovir (CAS 59277-89-3)

    413. PUBCHEMCID164825, Acid Yellow 23 (CAS 1934-21-0)

    414. PUBCHEMCID3935589, Acid Yellow 36 (CAS 587-98-4)

    415. HMDB0004296, Acrylamide Monomer (CAS 29007)

    416. HMDB0031647, Acrylic acid, contains MEHQ as stabilizer (CAS 29135)

    417. PUBCHEMCID117765, ADA (CAS 26239-55-4)

    418. HMDB0000034, Adenine hydrochloride (CAS 2922-28-3)

    419. HMDB0000050, Adenosine (CAS 58-61-7)

    420. HMDB0001341, Adenosine 5'-diphosphate potassium salt (CAS 70285-70-0)

    421. HMDB0000045, Adenosine 5'-monophosphate (CAS 61-19-8)

    422. HMDB0000538, Adenosine 5'-triphosphate disodium salt (CAS 987-65-5)

    423. HMDB0000058, Adenosine cyclophosphate (CAS 60-92-4)

    424. HMDB0000448, Adipic acid (CAS 124-04-9)

    425. HMDB0001432, Agmatine sulfate (CAS 2482-00-0)

    426. HMDB0015636, Agomelatine (CAS 138112-76-2)

    427. HMDB0001358, All trans-Retinal (CAS 116-31-4)

    428. HMDB0000462, Allantoin (CAS 97-59-6)

    429. HMDB0014581, Allopurinol (CAS 315-30-0)

    430. HMDB0002204, all-trans-Astaxanthin (CAS 472-61-7)

    431. PUBCHEMCID11559, alpha-Angelicalactone (CAS 591-12-8)

    432. HMDB0032619, alpha-Phenethyl alcohol (CAS 98-85-1)

    433. HMDB0000510, Aminoadipic acid (CAS 542-32-5)

    434. HMDB0001147, Aminomalonic acid (CAS 1068-84-4)

    435. HMDB0001833, Aminopterin (CAS 54-62-6)

    436. HMDB0015193, Amoxicillin trihydrate (CAS 61336-70-7)

    437. HMDB0003012, Aniline (CAS 62-53-3)

    438. HMDB0033895, Anisole (CAS 100-66-3)

    439. HMDB0033761, Anisyl acetate (CAS 104-21-2)

    440. HMDB0002124, Apigenin (CAS 520-36-5)

    441. HMDB0002212, Arachidic acid (CAS 506-30-9)

    442. PUBCHEMCID14389738, Arachidic acid methyl ester (CAS 1120-28-1)

    443. HMDB0029943, Arbutin (CAS 497-76-7)

    444. HMDB0030353, Arecoline HBr (CAS 300-08-3)

    445. HMDB0015643, Artemether (CAS 71963-77-4)

    446. HMDB0061088, Artemisinin (CAS 63968-64-9)

    447. HMDB0240267, Artesunate (CAS 88495-63-0)

    448. HMDB0001894, Aspartame (CAS 22839-47-0)

    449. HMDB0001924, Atenolol (CAS 29122-68-7)

    450. HMDB0014712, Atropine sulfate monohydrate (CAS 5908-99-6)

    451. HMDB0000784, Azelaic acid (CAS 123-99-9)

    452. HMDB0014327, Baclofen (CAS 1134-47-0)

    453. HMDB0134890, Baicalein (CAS 491-67-8)

    454. HMDB0041832, Baicalin (CAS 21967-41-9)

    455. HMDB0011143, Batyl alcohol (CAS 544-62-7)

    456. HMDB0004461, Benzamide (CAS 55-21-0)

    457. HMDB0001870, Benzoic acid (CAS 65-85-0)

    458. HMDB0001587, Benzoylformic acid (CAS 611-73-4)

    459. HMDB0031310, Benzyl acetate (CAS 140-11-4)

    460. HMDB0003119, Benzyl alcohol (CAS 100-51-6)

    461. HMDB0014814, Benzyl benzoate (CAS 120-51-4)

    462. HMDB0040286, Benzyl cinnamate (CAS 103-41-3)

    463. HMDB0041485, Benzyl formate (CAS 104-57-4)

    464. HMDB0033871, Benzylamine (CAS 100-46-9)

    465. HMDB0003409, Berberine chloride (CAS 633-65-8)

    466. PUBCHEMCID66065, Bergenin (CAS 477-90-7)

    467. HMDB0000043, Betaine (CAS 107-43-7)

    468. HMDB0014586, Betamethasone (CAS 378-44-9)

    469. HMDB0036838, Betulin (CAS 473-98-3)

    470. HMDB0030094, Betulinic acid (CAS 472-15-1)

    471. HMDB0011727, Bicine (CAS 150-25-4)

    472. HMDB0000054, Bilirubin (CAS 635-65-4)

    473. HMDB0002338, Biochanin A (CAS 491-80-5)

    474. HMDB0000030, Biotin (CAS 58-85-5)

    475. HMDB0040201, Bis(2-methyl-3-furyl)disulphide (CAS 28588-75-2)

    476. HMDB0032133, Bisphenol A (CAS 29348)

    477. HMDB0040397, Bornyl acetate (CAS 76-49-3)

    478. PUBCHEMCID16211665, Brucine sulfate heptahydrate (CAS 60583-39-3)

    479. HMDB0033870, Butyramide (CAS 541-35-5)

    480. HMDB0000039, Butyric acid, Na salt (CAS 156-54-7)

    481. HMDB0001964, Caffeic acid (CAS 331-39-5)

    482. PUBCHEMCID5281787, Caffeic acid phenethyl ester (CAS 104594-70-9)

    483. HMDB0001847, Caffeine (CAS 21399)

    484. HMDB0000663, Calcium D-Glucarate (hydrate) (CAS 5793-89-5)

    485. HMDB0025208, Camphorquinone (CAS 10373-78-1)

    486. HMDB0003033, Canrenone (CAS 976-71-6)

    487. HMDB0029415, Carbocysteine (CAS 638-23-3)

    488. HMDB0035770, Carvacrol (CAS 499-75-2)

    489. HMDB0036083, Carveol (CAS 99-48-9)

    490. HMDB0000957, Catechol (CAS 120-80-9)

    491. HMDB0000518, Chenodeoxycholic acid (CAS 474-25-9)

    492. HMDB0003164, Chlorogenic acid (CAS 327-97-9)

    493. HMDB0000908, Cholestanol (CAS 80-97-7)

    494. HMDB0000921, Cholestenone (CAS 601-57-0)

    495. HMDB0000067, Cholesterol (CAS 57-88-5)

    496. HMDB0006725, Cholesteryl Myristate (CAS 1989-52-2)

    497. HMDB0000885, Cholesteryl palmitate (CAS 601-34-3)

    498. HMDB0062461, Cholesteryl Stearate (CAS 35602-69-8)

    499. HMDB0000619, Cholic acid (CAS 81-25-4)

    500. HMDB0000097, Choline chloride (CAS 67-48-1)

  • List of compounds (continued)

    501. HMDB0036619, Chrysin (CAS 480-40-0)

    502. HMDB0030282, Cinchonidine (CAS 485-71-2)

    503. HMDB0029698, Cinnamyl alcohol (CAS 104-54-1)

    504. HMDB0006331, cis,cis-Muconic acid (CAS 1119-72-8)

    505. HMDB0030003, cis-3-Hexen-1-ol (CAS 928-96-1)

    506. HMDB0040213, cis-3-Hexenyl isobutyrate (CAS 41519-23-7)

    507. HMDB0060460, cis-4-Hydroxy-D-proline (CAS 2584-71-6)

    508. HMDB0002080, cis-Petroselinic Acid (CAS 593-39-5)

    509. HMDB0001413, Citicoline sodium salt (CAS 33818-15-4)

    510. HMDB0000634, Citraconic acid (CAS 498-23-7)

    511. HMDB0035078, Citral (cis- & trans- mixture) (CAS 5392-40-5)

    512. HMDB0000094, Citric acid (CAS 77-92-9)

    513. HMDB0001072, Coenzyme Q10 (CAS 303-98-0)

    514. HMDB0001547, Corticosterone (CAS 50-22-6)

    515. HMDB0002802, Cortisone (CAS 19515)

    516. HMDB0001218, Coumarin (CAS 91-64-5)

    517. HMDB0000064, Creatine anhydrous (CAS 57-00-1)

    518. HMDB0001511, Creatine phosphate disodium salt tetrahydrate (CAS 71519-72-7)

    519. HMDB0000562, Creatinine (CAS 60-27-5)

    520. PUBCHEMCID23342, Creatinol phosphate (CAS 6903-79-3)

    521. HMDB0010720, Crotonic acid (CAS 107-93-7)

    522. HMDB0002269, Curcumin (CAS 458-37-7)

    523. HMDB0031403, Cyclohexaneacetic acid (CAS 5292-21-7)

    524. HMDB0031342, Cyclohexanecarboxylic Acid (CAS 98-89-5)

    525. HMDB0000211, Cyclohexanehexol (CAS 87-89-8)

    526. PUBCHEMCID7507, Cyclohexanemethanol (CAS 100-49-2)

    527. HMDB0003315, Cyclohexanone (CAS 108-94-1)

    528. HMDB0031407, Cyclopentanone (CAS 120-92-3)

    529. PUBCHEMCID2915, Cystamine dihydrochloride (CAS 56-17-7)

    530. HMDB0002991, Cysteamine hydrochloride (CAS 156-57-0)

    531. HMDB0000089, Cytidine (CAS 65-46-3)

    532. HMDB0000082, Cytidine 5′-triphosphate (disodium salt) (CAS 36051-68-0)

    533. HMDB0000095, Cytidine-5'-monophosphate (CAS 63-37-6)

    534. HMDB0000630, Cytosine (CAS 71-30-7)

    535. HMDB0244973, D(-)-4-Hydroxyphenylglycine (CAS 22818-40-2)

    536. HMDB0035030, D-(-)-Amygdalin (CAS 29883-15-6)

    537. HMDB0029942, D-(−)-Arabinose (CAS 10323-20-3)

    538. HMDB0000660, D-(-)-Fructose (CAS 57-48-7)

    539. HMDB0059876, D-(−)-Pantolactone (CAS 599-04-2)

    540. HMDB0014997, D-(-)-Penicillamine (CAS 52-67-5)

    541. HMDB0003072, D-(-)-Quinic acid (CAS 77-95-2)

    542. HMDB0003546, D-(-)-Salicin (CAS 138-52-3)

    543. HMDB0003418, D-(-)-Tagatose (CAS 87-81-0)

    544. HMDB0034491, D-(+)-Camphoric acid (CAS 124-83-4)

    545. HMDB0000055, D-(+)-Cellobiose (CAS 528-50-7)

    546. HMDB0341150, D-(+)-Galactosamine HCl (CAS 1772-03-8)

    547. HMDB0000143, D-(+)-Galactose (CAS 59-23-4)

    548. HMDB0001514, D-(+)-Glucosamine hydrochloride (CAS 66-84-2)

    549. HMDB0000122, D-(+)-Glucose anhydrous (CAS 50-99-7)

    550. HMDB0003213, D-(+)-Raffinose pentahydrate (CAS 17629-30-0)

    551. HMDB0001900, D-(+)-Ribonic acid gamma-lactone (CAS 1255190)

    552. HMDB0000975, D-(+)-Trehalose dihydrate (CAS 6138-23-4)

    553. HMDB0013609, D-(+)-Tryptophan (CAS 153-94-6)

    554. HMDB0011740, D-(+)-Turanose (CAS 547-25-1)

    555. HMDB0000098, D-(+)-Xylose (CAS 58-86-6)

    556. HMDB0000563, D-3-Phenyllactic acid (CAS 7326-19-4)

    557. HMDB0003312, Daidzein (CAS 486-66-8)

    558. HMDB0001310, D-Alanine (CAS 338-69-2)

    559. HMDB0000568, D-Arabitol (CAS 488-82-4)

    560. HMDB0003416, D-Arginine (CAS 157-06-2)

    561. HMDB0033780, D-Asparagine (CAS 2058-58-4)

    562. HMDB0006483, D-Aspartic acid (CAS 1783-96-6)

    563. HMDB0014405, D-Cycloserine (CAS 68-41-7)

    564. HMDB0003417, D-Cysteine (CAS 921-01-7)

    565. HMDB0031409, Decan-2-one (CAS 693-54-9)

    566. HMDB0000511, Decanoic acid (CAS 334-48-5)

    567. HMDB0011623, Decyl aldehyde (CAS 112-31-2)

    568. HMDB0001264, Dehydroascorbic acid (CAS 490-83-5)

    569. HMDB0037116, Delta-Decalactone (CAS 705-86-2)

    570. HMDB0000453, delta-Hexalactone (CAS 823-22-3)

    571. HMDB0038310, delta-Octanolactone (CAS 698-76-0)

    572. HMDB0000626, Deoxycholic acid (CAS 83-44-3)

    573. HMDB0015364, Dexamethasone (CAS 18296)

    574. HMDB0001058, D-Fructose-1,6-bisphosphate (sodium salt hydrate) (CAS 81028-91-3)

    575. HMDB0000124, D-Fructose-6-phosphate disodium salt hydrate (CAS 26177-86-6)

    576. HMDB0001401, D-Glucose-6-phosphate sodium salt (CAS 54010-71-8)

    577. HMDB0006355, D-Glucuro-3,6-lactone (CAS 32449-92-6)

    578. HMDB0000127, D-Glucuronic acid sodium salt monohydrate (CAS 207300-70-7)

    579. HMDB0003339, D-Glutamic acid (CAS 6893-26-1)

    580. HMDB0003423, D-Glutamine (CAS 5959-95-5)

    581. PUBCHEMCID71083, D-Histidine (CAS 351-50-8)

    582. PUBCHEMCID92893, D-histidine methyl ester dihydrochloride (CAS 4467-54-3)

    583. HMDB0033244, Dibutyl phthalate (CAS 84-74-2)

    584. HMDB0041220, Dibutyl sebacate (CAS 109-43-3)

    585. HMDB0014411, Dicumarol (CAS 66-76-2)

    586. HMDB0004437, Diethanolamine HCl (CAS 14426-21-2)

    587. HMDB0033584, Diethyl L-(+)-tartrate (CAS 87-91-2)

    588. HMDB0029573, Diethyl malonate (CAS 105-53-3)

    589. HMDB0033838, Diethyl succinate (CAS 123-25-1)

    590. HMDB0014400, Diethylstilbestrol (CAS 56-53-1)

    591. HMDB0041503, Difurfurylsulfide (CAS 13678-67-6)

    592. HMDB0036626, Dihydrocoumarin (CAS 119-84-6)

    593. HMDB0000079, Dihydrothymine (CAS 696-04-8)

    594. HMDB0000076, Dihydrouracil (CAS 504-07-4)

    595. HMDB0001882, Dihydroxyacetone (CAS 96-26-4)

    596. HMDB0041613, Diisopropyl adipate (CAS 6938-94-9)

    597. HMDB0001494, Dilithium acetyl phosphate (CAS 16333-96-3)

    598. HMDB0041606, Dimethyl adipate (CAS 627-93-0)

    599. HMDB0240744, Dimethyl maleate (CAS 624-48-6)

    600. HMDB0033837, Dimethyl succinate (CAS 106-65-0)

  • List of compounds (continued)

    601. HMDB0004983, Dimethyl sulfone (CAS 67-71-0)

    602. HMDB0013780, Dimethyl trisulfide (CAS 3658-80-8)

    603. PUBCHEMCID99474, Diosgenin (CAS 512-04-9)

    604. HMDB0029676, Diosmetin (CAS 520-34-3)

    605. HMDB0029548, Diosmin (CAS 520-27-4)

    606. HMDB0001927, Diphenhydramine Hydrochloride (CAS 147-24-0)

    607. HMDB0041614, Dipropyl adipate (CAS 106-19-4)

    608. HMDB0002006, DL-2,3-Diaminopropionic acid monohydrochloride (CAS 54897-59-5)

    609. HMDB0000991, DL-2-Aminocaprylic acid (CAS 644-90-6)

    610. HMDB0000008, DL-2-Hydroxybutyric acid sodium salt (CAS 19054-57-0)

    611. HMDB0011743, DL-2-Phenylpropionic acid (CAS 492-37-5)

    612. HMDB0003911, DL-3-Aminoisobutyric acid (CAS 144-90-1)

    613. HMDB0000291, DL-4-Hydroxy-3-methoxymandelic acid (CAS 20369)

    614. HMDB0002210, DL-alpha-Phenylglycine (CAS 341659)

    615. HMDB0012127, DL-Benzylsuccinic acid (CAS 884-33-3)

    616. HMDB0013773, D-Leucine (CAS 328-38-1)

    617. HMDB0002287, DL-Homocysteine thiolactone hydrochloride (CAS 6038-19-3)

    618. HMDB0000575, DL-Homocystine (CAS 870-93-9)

    619. HMDB0000193, DL-Isocitric acid trisodium salt hydrate (CAS 1637-73-6)

    620. HMDB0000684, DL-Kynurenine (CAS 343-65-7)

    621. HMDB0006024, DL-Mevalonolactone (CAS 674-26-0)

    622. HMDB0059720, DL-m-Tyrosine (CAS 775-06-4)

    623. PUBCHEMCID57449, D-Lysine (CAS 923-27-3)

    624. HMDB0034252, DL-α-Aminopimelic acid (CAS 627-76-9)

    625. HMDB0000962, DL-α-Lipoamide (CAS 940-69-2)

    626. PUBCHEMCID440049, D-Mannosamine HCl (CAS 5505-63-5)

    627. HMDB0000169, D-Mannose (CAS 3458-28-4)

    628. HMDB0011730, D-Melezitose monohydrate (CAS 10030-67-8)

    629. PUBCHEMCID84815, D-Methionine (CAS 348-67-4)

    630. HMDB0000944, Docosanoic acid (CAS 112-85-6)

    631. HMDB0000623, Dodecanedioic acid (CAS 693-23-2)

    632. HMDB0000073, Dopamine hydrochloride (CAS 62-31-7)

    633. PUBCHEMCID443122, D-Ornithine HCl (CAS 16682-12-5)

    634. HMDB0001936, Doxylamine succinate (CAS 562-10-7)

    635. HMDB0004231, D-Panthenol (CAS 81-13-0)

    636. PUBCHEMCID71567, D-Phenylalanine (CAS 673-06-3)

    637. PUBCHEMCID164619, D-Pinitol (CAS 10284-63-6)

    638. HMDB0003411, D-Proline (CAS 344-25-2)

    639. HMDB0000805, D-Pyroglutamic acid (CAS 4042-36-8)

    640. HMDB0000283, D-Ribose (CAS 50-69-1)

    641. HMDB0029881, D-Saccharic acid 1,4-lactone monohydrate (CAS 61278-30-6)

    642. HMDB0003406, D-Serine (CAS 312-84-5)

    643. HMDB0000247, D-Sorbitol (CAS 50-70-4)

    644. PUBCHEMCID69435, D-Threonine (CAS 632-20-2)

    645. PUBCHEMCID71098, D-Tyrosine (CAS 556-02-5)

    646. PUBCHEMCID71563, D-Valine (CAS 640-68-6)

    647. HMDB0000650, D-α-aminobutyric acid (CAS 2623-91-8)

    648. HMDB0000573, Elaidic Acid (CAS 112-79-8)

    649. HMDB0033778 , Elemicin (CAS 487-11-6)

    650. HMDB0002899, Ellagic acid dihydrate (CAS 476-66-4)

    651. HMDB0002209, Equol (CAS 94105-90-5)

    652. HMDB0000878, Ergosterol (CAS 57-87-4)

    653. PUBCHEMCID19700, Erioglaucine disodium salt (CAS 3844-45-9)

    654. HMDB0030820, Esculin sesquihydrate (CAS 531-75-9)

    655. HMDB0000151, Estradiol (CAS 50-28-2)

    656. HMDB0000153, Estriol (CAS 50-27-1)

    657. HMDB0000145, Estrone (CAS 53-16-7)

    658. HMDB0014731, Ethosuximide (CAS 77-67-8)

    659. PUBCHEMCID701, Ethyl 2-methylacetoacetate (CAS 609-14-3)

    660. HMDB0040413, Ethyl 3-(methylthio)propionate (CAS 13327-56-5)

    661. PUBCHEMCID13067, Ethyl 3-indoleacetate (CAS 778-82-5)

    662. HMDB0004992, Ethyl 4-aminobenzoate (CAS 34584)

    663. HMDB0031216, Ethyl acetoacetate (CAS 141-97-9)

    664. HMDB0033889, Ethyl butyrate (CAS 105-54-4)

    665. HMDB0039581, Ethyl crotonate (CAS 623-70-1)

    666. HMDB0030998, Ethyl decanoate (CAS 110-38-3)

    667. HMDB0000798, Ethyl heptanoate (CAS 106-30-9)

    668. HMDB0040209, Ethyl hexanoate (CAS 123-66-0)

    669. HMDB0033788, Ethyl laurate (CAS 106-33-2)

    670. HMDB0040433, Ethyl levulinate (CAS 539-88-8)

    671. HMDB0040195, Ethyl n-caprylate (CAS 106-32-1)

    672. HMDB0040193, Ethyl nonanoate (CAS 123-29-5)

    673. HMDB0029811, Ethyl palmitate (CAS 628-97-7)

    674. HMDB0040297, Ethyl pentanoate (CAS 539-82-2)

    675. HMDB0000576, Ethyl potassium malonate (CAS 6148-64-7)

    676. HMDB0030058, Ethyl Propionate (CAS 105-37-3)

    677. HMDB0031643, Ethyl pyruvate (CAS 617-35-6)

    678. HMDB0029817, Ethyl salicylate (CAS 118-61-6)

    679. HMDB0040463, Ethyl sorbate (CAS 2396-84-1)

    680. HMDB0034156, Ethyl stearate (CAS 111-61-5)

    681. HMDB0034153, Ethyl tetradecanoate (CAS 124-06-1)

    682. HMDB0029552, Ethyl undecanoate (CAS 627-90-7)

    683. HMDB0032260, Ethylene glycol (CAS 107-21-1)

    684. HMDB0015109, Ethylenediaminetetraacetic acid (CAS 60-00-4)

    685. HMDB0000622, Ethylmalonic acid (CAS 601-75-2)

    686. HMDB0014887, Etodolac (CAS 41340-25-4)

    687. HMDB0004472, Eucalyptol (CAS 470-82-6)

    688. HMDB0005809, Eugenol (CAS 97-53-0)

    689. PUBCHEMCID7136, Eugenol acetate (CAS 93-28-7)

    690. HMDB0001919, Famotidine (CAS 76824-35-6)

    691. PUBCHEMCID638500, Farnesyl acetate (mixture of isomers) (CAS 29548-30-9)

    692. HMDB0001248, Flavin Adenine Dinucleotide disodium salt hydrate (CAS 84366-81-4)

    693. HMDB0003075, Flavone (CAS 525-82-6)

    694. HMDB0000121, Folic acid (CAS 59-30-3)

    695. HMDB0034022, Food Yellow 3 (CAS 2783-94-0)

    696. HMDB0001536, Formamide (CAS 27735)

    697. HMDB0005808, Formononetin (CAS 485-72-3)

    698. HMDB0000134, Fumaric acid (CAS 110-17-8)

    699. HMDB0034246, Furan-2-ylmethyl acetate (CAS 623-17-6)

    700. HMDB0032914, Furfural (CAS 35796)

  • List of compounds (continued)

    701. HMDB0013742, Furfuryl alcohol (CAS 98-00-0)

    702. HMDB0037728, Furfuryl propionate (CAS 623-19-8)

    703. HMDB0015570, Fusidic acid (sodium salt) (CAS 751-94-0)

    704. HMDB0000107, Galactitol (CAS 608-66-2)

    705. HMDB0005807, Gallic acid (CAS 149-91-7)

    706. HMDB0037217, gamma-Decalactone (CAS 706-14-9)

    707. HMDB0038311, gamma-Undecalactone (CAS 104-67-6)

    708. HMDB0003217, Genistein (CAS 446-72-0)

    709. HMDB0035157, Geranyl acetate (CAS 105-87-3)

    710. PUBCHEMCID71317439, Geranyl linalool (mixture of isomers) (CAS 1113-21-9)

    711. HMDB0003559, Gibberellin A3 (CAS 28281)

    712. HMDB0015252, Gliclazide (CAS 21187-98-4)

    713. HMDB0015381, Gliquidone (CAS 33342-05-1)

    714. HMDB0000661, Glutaric acid (CAS 110-94-1)

    715. HMDB0000131, Glycerol (CAS 56-81-5)

    716. HMDB0029592, Glycerol triacetate (CAS 102-76-1)

    717. HMDB0031094, Glycerol Tributyrate (CAS 21920)

    718. HMDB0000548, Glycerol Tridecanoate (CAS 621-71-6)

    719. HMDB0005414, Glycerol Trieicosanoate (CAS 620-64-4)

    720. HMDB0031106, Glycerol Triheptadecanoate (CAS 2438-40-6)

    721. HMDB0005356, Glycerol Tripalmitate (CAS 555-44-2)

    722. PUBCHEMCID3033877, Glycerol-1-Octanoate (CAS 502-54-5)

    723. HMDB0062472, Glycinamide hydrochloride (CAS 1668-10-6)

    724. HMDB0000123, Glycine (CAS 56-40-6)

    725. PUBCHEMCID21477529, Glycine lauryl ester HCl (CAS 16194-11-9)

    726. HMDB0000637, Glycochenodeoxycholic acid sodium (CAS 16564-43-5)

    727. HMDB0000138, Glycocholic acid hydrate (CAS 475-31-0)

    728. HMDB0000128, Glycocyamine (CAS 352-97-6)

    729. HMDB0000631, Glycodeoxycholic acid sodium salt (CAS 16409-34-0)

    730. PUBCHEMCID186078, Glycolaldehyde dimer (CAS 23147-58-2)

    731. HMDB0000708, Glycoursodeoxycholic acid (CAS 64480-66-6)

    732. HMDB0011733, Glycyl-glycine (CAS 556-50-3)

    733. HMDB0029419, Glycyl-glycyl-glycine (CAS 556-33-2)

    734. HMDB0028839, Glycyl-L-glutamine (CAS 13115-71-4)

    735. HMDB0000759, Glycyl-L-leucine (CAS 869-19-2)

    736. HMDB0000721, Glycyl-L-proline (CAS 704-15-4)

    737. HMDB0028853, Glycyl-L-tyrosine (CAS 658-79-7)

    738. HMDB0028854, Glycyl-L-valine (CAS 1963-21-9)

    739. PUBCHEMCID93131, Glycylsarcosine (CAS 29816-01-1)

    740. HMDB0000119, Glyoxylic acid, ca. 50% in Water (CAS 298-12-4)

    741. HMDB0028995, Gly-Phe-OH (CAS 519077)

    742. HMDB0035762, Gramine (CAS 87-52-5)

    743. HMDB0001398, Guaiacol (CAS 32994)

    744. HMDB0036648, Guaiazulene (CAS 489-84-9)

    745. HMDB0001842, Guanidine hydrochloride (CAS 18264)

    746. HMDB0003584, Guanidinoethyl sulfonate (CAS 543-18-0)

    747. HMDB0000132, Guanine (CAS 73-40-5)

    748. HMDB0000133, Guanosine (CAS 118-00-3)

    749. HMDB0001397, Guanosine 5'-monophosphate (disodium salt) (CAS 1333479)

    750. HMDB0002345, Heneicosanoic acid (CAS 2363-71-5)

    751. HMDB0002259, Heptadecanoic acid (CAS 506-12-7)

    752. PUBCHEMCID15609, Heptadecanoic Acid methyl ester (CAS 1731-92-6)

    753. HMDB0031475, Heptaldehyde (CAS 111-71-7)

    754. HMDB0000857, Heptanedioic acid (CAS 111-16-0)

    755. HMDB0000666, Heptanoic acid (CAS 111-14-8)

    756. HMDB0005782, Hesperetin (CAS 520-33-2)

    757. HMDB0003265, Hesperidin (CAS 520-26-3)

    758. HMDB0000672, Hexadecanedioic acid (CAS 505-54-4)

    759. HMDB0000220, Hexadecanoic acid (CAS 21096)

    760. PUBCHEMCID22324, Hexadecylpyridinium chloride (CAS 123-03-5)

    761. HMDB0005994, Hexanal (CAS 66-25-1)

    762. PUBCHEMCID12332, Hexanamide (CAS 628-02-4)

    763. HMDB0000535, Hexanoic acid (CAS 142-62-1)

    764. HMDB0040431, Hexyl benzoate (CAS 6789-88-4)

    765. HMDB0034606, Hexyl propanoate (CAS 2445-76-3)

    766. HMDB0031736, Hexylcinnamaldehyde (CAS 101-86-0)

    767. HMDB0000714, Hippuric acid (CAS 495-69-2)

    768. HMDB0000870, Histamine dihydrochloride (CAS 56-92-8)

    769. HMDB0000130, Homogentisic acid (CAS 451-13-8)

    770. HMDB0000434, Homoveratric acid (CAS 93-40-3)

    771. PUBCHEMCID72303, Honokiol (CAS 35354-74-6)

    772. HMDB0004366, Hordenine (CAS 539-15-1)

    773. HMDB0013318, H-Trp-NH2.HCl (CAS 5022-65-1)

    774. HMDB0001928, Hydrochlorothiazide (CAS 58-93-5)

    775. HMDB0000764, Hydrocinnamic acid (CAS 501-52-0)

    776. HMDB0014879, Hydrocortisone (CAS 50-23-7)

    777. HMDB0002434, Hydroquinone (CAS 123-31-9)

    778. HMDB0000115, Hydroxyacetic acid (CAS 79-14-1)

    779. HMDB0003338, Hydroxylamine sulfate (CAS 10039-54-0)

    780. HMDB0035227, Hydroxymalonic acid (CAS 80-69-3)

    781. HMDB0000733, Hyodeoxycholic acid (CAS 83-49-8)

    782. HMDB0000157, Hypoxanthine (CAS 68-94-0)

    783. HMDB0001925, Ibuprofen (CAS 15687-27-1)

    784. HMDB0001525, Imidazole (CAS 288-32-4)

    785. HMDB0002024, Imidazole-4(5)-acetic acid hydrochloride (CAS 3251-69-2)

    786. HMDB0059912, Indigo Carmine (CAS 860-22-0)

    787. HMDB0000738, Indole (CAS 120-72-9)

    788. HMDB0002285, Indole-2-carboxylic acid (CAS 1477-50-5)

    789. HMDB0029739, Indole-3-acetamide (CAS 879-37-8)

    790. HMDB0000197, Indole-3-acetic acid (CAS 87-51-4)

    791. HMDB0005785, Indole-3-carbinol (CAS 13739-02-1)

    792. HMDB0029737, Indole-3-carboxaldehyde (CAS 487-89-8)

    793. HMDB0003320, Indole-3-carboxylic acid (CAS 771-50-6)

    794. HMDB0060484, Indole-3-pyruvic Acid (CAS 392-12-1)

    795. PUBCHEMCID86074, Indoline-2-carboxylic acid (CAS 78348-24-0)

    796. HMDB0000682, Indoxyl sulfate potassium salt (CAS 2642-37-7)

    797. HMDB0000195, Inosine (CAS 58-63-9)

    798. HMDB0000189, Inosine 5′-triphosphate trisodium salt (CAS 35908-31-7)

    799. HMDB0003335, Inosine-5'-diphosphate disodium salt (CAS 54735-61-4)

    800. HMDB0000175, Inosine-5'-monophosphate (sodium salt hydrate) (CAS 20813-76-7)

  • List of compounds (continued)

    801. HMDB0032987, Ipriflavone (CAS 35212-22-7)

    802. HMDB0031528, Isoamyl Acetate (CAS 123-92-2)

    803. HMDB0001873, Isobutyric acid (CAS 79-31-2)

    804. PUBCHEMCID66950, Isocytosine (CAS 108-53-2)

    805. HMDB0005802, Isoeugenol (mixture of cis and trans) (CAS 97-54-1)

    806. HMDB0037316, Isoliquiritigenin (CAS 961-29-5)

    807. HMDB0060665, Isonicotinic acid (CAS 55-22-1)

    808. PUBCHEMCID10453, Isophytol (CAS 505-32-8)

    809. HMDB0034244, Isoquinoline (CAS 119-65-3)

    810. HMDB0006478, Isovaleraldehyde (CAS 590-86-3)

    811. HMDB0000718, Isovaleric acid (CAS 503-74-2)

    812. HMDB0002092, Itaconic acid (CAS 97-65-4)

    813. HMDB0005801, Kaempferol (CAS 520-18-3)

    814. HMDB0015144, Ketoprofen (CAS 22071-15-4)

    815. HMDB0032923, Kojic acid (CAS 501-30-4)

    816. HMDB0000715, Kynurenic acid (CAS 492-27-3)

    817. HMDB0035089, L-(-)-Carvone (CAS 6485-40-1)

    818. HMDB0000139, L-(-)-Glyceric acid hemicalcium salt monohydrate (CAS 14028-63-8)

    819. HMDB0000156, L-(−)-Malic acid (CAS 97-67-6)

    820. HMDB0000216, L-(–)-Norepinephrine bitartrate hydrate (CAS 108341-18-0)

    821. HMDB0000716, L-(-)-Pipecolinic acid (CAS 3105-95-1)

    822. HMDB0000452, L(+)-2-Aminobutyric acid (CAS 1492-24-6)

    823. HMDB0000646, L-(+)-Arabinose (CAS 87-72-9)

    824. HMDB0000190, L-(+)-Lactic acid solution, 85% in water (CAS 79-33-4)

    825. HMDB0000849, L-(+)-Rhamnose monohydrate (CAS 10030-85-0)

    826. HMDB0003966, L-(+)-Selenomethionine (CAS 3211-76-5)

    827. HMDB0000956, L-(+)-Tartaric acid (CAS 87-69-4)

    828. HMDB0000472, L-5-Hydroxytryptophan (CAS 895096)

    829. PUBCHEMCID7314, Lactobionic acid (CAS 96-82-2)

    830. HMDB0000740, Lactulose (CAS 4618-18-2)

    831. HMDB0000068, L-Adrenaline (CAS 51-43-4)

    832. HMDB0000161, L-Alanine (CAS 56-41-7)

    833. HMDB0028685, L-Alany-L-glutamine (CAS 39537-23-0)

    834. HMDB0028694, L-Alanyl-L-phenylalanine (CAS 3061-90-3)

    835. HMDB0000194, L-Anserine (CAS 584-85-0)

    836. HMDB0001851, L-Arabitol (CAS 7643-75-6)

    837. HMDB0000517, L-Arginine (CAS 74-79-3)

    838. HMDB0029416, L-Arginine methyl ester dihydrochloride (CAS 26340-89-6)

    839. HMDB0000168, L-Asparagine (CAS 70-47-3)

    840. HMDB0000191, L-Aspartic acid (CAS 56-84-8)

    841. HMDB0000638, Lauric acid (CAS 143-07-7)

    842. HMDB0038720, Lauryl gallate (CAS 1166-52-5)

    843. HMDB0000062, L-Carnitine inner salt (CAS 541-15-1)

    844. HMDB0000033, L-Carnosine (CAS 305-84-0)

    845. HMDB0000904, L-Citrulline (CAS 372-75-8)

    846. HMDB0002757, L-Cysteic acid monohydrate (CAS 23537-25-9)

    847. HMDB0000574, L-Cysteine (CAS 52-90-4)

    848. HMDB0000192, L-Cystine (CAS 56-89-3)

    849. HMDB0001871, L-Epicatechin (CAS 490-46-0)

    850. PUBCHEMCID67215, Leucomalachite green (CAS 129-73-7)

    851. HMDB0001918, Levothyroxine (CAS 51-48-9)

    852. HMDB0000720, Levulinic acid (CAS 123-76-2)

    853. HMDB0000174, L-Fucose (CAS 2438-80-4)

    854. HMDB0000148, L-Glutamic acid (CAS 56-86-0)

    855. HMDB0000641, L-Glutamine (CAS 56-85-9)

    856. HMDB0003337, L-Glutathione oxidized (CAS 27025-41-8)

    857. HMDB0000125, L-Glutathione reduced (CAS 70-18-8)

    858. HMDB0003466, L-Gulonic acid γ-lactone (CAS 1128-23-0)

    859. HMDB0000177, L-Histidine (CAS 71-00-1)

    860. HMDB0003431, L-Histidinol dihydrochloride (CAS 1596-64-1)

    861. HMDB0000670, L-Homoarginine hydrochloride (CAS 1483-01-8)

    862. HMDB0000679, L-Homocitrulline (CAS 1190-49-4)

    863. HMDB0000742, L-Homocysteine (CAS 6027-13-0)

    864. HMDB0000719, L-Homoserine (CAS 672-15-1)

    865. HMDB0000528, L-Hydroorotic acid (CAS 5988-19-2)

    866. HMDB0002003, Lignoceric acid (CAS 557-59-5)

    867. HMDB0036100, Linalool (CAS 78-70-6)

    868. HMDB0040727, Linalool oxide (CAS 60047-17-8)

    869. HMDB0039522, Linalyl acetate (CAS 115-95-7)

    870. PUBCHEMCID5362793, Linoelaidic Acid methyl ester (CAS 2566-97-4)

    871. HMDB0000673, Linoleic Acid (sodium salt) (CAS 822-17-3)

    872. PUBCHEMCID445883, L-Isoglutamine (CAS 636-65-7)

    873. HMDB0000172, L-Isoleucine (CAS 73-32-5)

    874. HMDB0000761, Lithocholic acid (CAS 434-13-9)

    875. HMDB0000746, L-Leucic acid (CAS 13748-90-8)

    876. HMDB0000687, L-Leucine (CAS 61-90-5)

    877. HMDB0028922, L-Leucyl-L-alanine (CAS 7298-84-2)

    878. HMDB0000182, L-Lysine (CAS 56-87-1)

    879. HMDB0035162, L-Menthone (CAS 14073-97-3)

    880. HMDB0037212, L-Menthyl lactate (CAS 59259-38-0)

    881. HMDB0000696, L-Methionine (CAS 63-68-3)

    882. HMDB0002005, L-Methionine sulfoxide (CAS 3226-65-1)

    883. HMDB0001934, L-Nicotine (CAS 20033)

    884. HMDB0001645, L-Norleucine (CAS 327-57-1)

    885. HMDB0013716, L-Norvaline (CAS 6600-40-4)

    886. HMDB0000214, L-Ornithine HCl (CAS 3184-13-2)

    887. HMDB0000159, L-Phenylalanine (CAS 63-91-2)

    888. HMDB0000162, L-Proline (CAS 147-85-3)

    889. HMDB0000267, L-Pyroglutamic acid (CAS 98-79-3)

    890. HMDB0000187, L-Serine (CAS 56-45-1)

    891. HMDB0001266, L-Sorbose (CAS 87-79-6)

    892. HMDB0034365, L-Theanine (CAS 3081-61-6)

    893. HMDB0000943, L-Threonic acid Calcium Salt (CAS 70753-61-6)

    894. HMDB0000167, L-Threonine (CAS 72-19-5)

    895. HMDB0000929, L-Tryptophan (CAS 73-22-3)

    896. HMDB0000158, L-Tyrosine (CAS 60-18-4)

    897. HMDB0254199, Lumichrome (CAS 1086-80-2)

    898. HMDB0005800, Luteolin (CAS 491-70-3)

    899. HMDB0000883, L-Valine (CAS 72-18-4)

    900. PUBCHEMCID91604, Lyral (CAS 31906-04-4)

  • List of compounds (continued)

    901. PUBCHEMCID72300, Magnolol (CAS 528-43-8)

    902. PUBCHEMCID5280451, Maleamic acid (CAS 557-24-4)

    903. HMDB0000176, Maleic acid (CAS 110-16-7)

    904. HMDB0000691, Malonic acid disodium salt (CAS 141-95-7)

    905. HMDB0002928, Maltitol (CAS 585-88-6)

    906. HMDB0000163, Maltose (CAS 69-79-4)

    907. HMDB0001262, Maltotriose (CAS 1109-28-0)

    908. HMDB0000703, Mandelic acid (CAS 90-64-2)

    909. HMDB0034410, Mangiferin (CAS 4773-96-0)

    910. HMDB0000765, Mannitol (CAS 69-65-8)

    911. HMDB0002048, m-Cresol (CAS 108-39-4)

    912. HMDB0059855, m-Dichlorobenzene (CAS 541-73-1)

    913. HMDB0014922, Mefenamic acid (CAS 61-68-7)

    914. HMDB0001389, Melatonin (CAS 73-31-4)

    915. HMDB0014952 , Meloxicam (CAS 71125-38-7)

    916. HMDB0001892, Menadione (CAS 58-27-5)

    917. HMDB0030017, Menaquinone 4 (CAS 863-61-6)

    918. HMDB0002994, meso-Erythritol (CAS 149-32-6)

    919. HMDB0001921, Metformin HCl (CAS 1115-70-4)

    920. HMDB0032385, Methacrylic acid, stabilized with MEHQ (CAS 79-41-4)

    921. HMDB0029457, Methoxsalen (CAS 298-81-7)

    922. PUBCHEMCID11040, Methyl (R)-(+)-lactate (CAS 17392-83-5)

    923. PUBCHEMCID72669, Methyl 3-aminopyrazine-2-carboxylate (CAS 16298-03-6)

    924. HMDB0029738, Methyl 3-indolyacetate (CAS 1912-33-0)

    925. PUBCHEMCID2756383, Methyl 4-aminobutyrate HCl (CAS 13031-60-2)

    926. HMDB0029965, Methyl alpha-D-glucopyranoside (CAS 97-30-3)

    927. HMDB0033890, Methyl butyrate (CAS 623-42-7)

    928. HMDB0033833, Methyl cinnamate (CAS 103-26-4)

    929. HMDB0031343, Methyl cyclohexanecarboxylate (CAS 4630-82-4)

    930. HMDB0033848, Methyl decanoate (CAS 110-42-9)

    931. HMDB0031018, Methyl dodecanoate (CAS 111-82-0)

    932. HMDB0031478, Methyl enanthate (CAS 106-73-0)

    933. HMDB0035238, Methyl hexanoate (CAS 106-70-7)

    934. HMDB0036583, Methyl Jasmonate (mixture of isomers) (CAS 39924-52-2)

    935. HMDB0029806, Methyl nicotinate (CAS 93-60-7)

    936. HMDB0031264, Methyl nonanoate (CAS 1731-84-6)

    937. HMDB0031291, Methyl octanoate (CAS 111-11-5)

    938. HMDB0036240, Methyl p-tert-butylphenylacetate (CAS 3549-23-3)

    939. HMDB0034172, Methyl salicylate (CAS 119-36-8)

    940. HMDB0030469, Methyl tetradecanoate (CAS 124-10-7)

    941. PUBCHEMCID15607, Methyl undecanoate (CAS 1731-86-8)

    942. HMDB0031207, Methyl valerate (CAS 624-24-8)

    943. HMDB0240266, Methyl vanillate (CAS 3943-74-6)

    944. HMDB0001522, Methylguanidine HCl (CAS 21770-81-0)

    945. HMDB0032306, Methyloxalacetic acid diethyl ester (CAS 759-65-9)

    946. HMDB0014903, Metyrosine (CAS 672-87-7)

    947. PUBCHEMCID14871, Monolaurin (CAS 142-18-7)

    948. HMDB0059722, Monomethyl adipate (CAS 627-91-8)

    949. HMDB0000858, Monomethyl glutarate (CAS 1501-27-5)

    950. HMDB0030796, Morin (CAS 480-16-0)

    951. HMDB0000639, Mucic acid (CAS 526-99-8)

    952. HMDB0031865, Musk ketone (CAS 81-14-1)

    953. HMDB0002755, Myricetin (CAS 529-44-2)

    954. HMDB0000806, Myristic acid (CAS 544-63-8)

    955. HMDB0013250, Myristoyl-Gly-OH (CAS 14246-55-0)

    956. PUBCHEMCID31374, N,N-Dimethylacetamide (CAS 127-19-5)

    957. HMDB0001020, N,N-Dimethylaniline (CAS 121-69-7)

    958. HMDB0000092, N,N-Dimethylglycine (CAS 1118-68-9)

    959. PUBCHEMCID11008044, N,N-dimethyl-L-Valine (CAS 2812-32-0)

    960. PUBCHEMCID12965, N,N-Dimethylpropionamide (CAS 758-96-3)

    961. PUBCHEMCID11346228, N4-Acetyl-2'-deoxycytidin (CAS 32909-05-0)

    962. HMDB0005923, N4-Acetylcytidine (CAS 3768-18-1)

    963. PUBCHEMCID99309, N4-Acetylcytosine (CAS 14631-20-0)

    964. HMDB0002099, N6-Methyladenine (CAS 443-72-1)

    965. HMDB0012881, N-Acetyl carnosine (CAS 56353-15-2)

    966. HMDB0000212, N-Acetyl-D-galactosamine (CAS 1811-31-0)

    967. HMDB0002931, N-Acetyl-DL-serine (CAS 97-14-3)

    968. HMDB0013713, N-Acetyl-DL-Tryptophan (CAS 87-32-1)

    969. HMDB0001129, N-Acetyl-D-mannosamine (CAS 7772-94-3)

    970. HMDB0000803, N-Acetylglucosamine (CAS 7512-17-6)

    971. HMDB0001138, N-Acetylglutamic acid (CAS 1188-37-0)

    972. HMDB0000532, N-Acetylglycine (CAS 543-24-8)

    973. HMDB0000766, N-Acetyl-L-alanine (CAS 97-69-8)

    974. HMDB0006028, N-Acetyl-L-asparagine (CAS 4033-40-3)

    975. HMDB0000812, N-Acetyl-L-aspartic acid (CAS 997-55-7)

    976. HMDB0001890, N-Acetyl-L-cysteine (CAS 616-91-1)

    977. HMDB0061684, N-Acetyl-L-Isoleucine (CAS 3077-46-1)

    978. HMDB0011756, N-Acetyl-L-leucine (CAS 1188-21-2)

    979. HMDB0000446, N-Acetyl-L-Lysine (CAS 1946-82-3)

    980. HMDB0011745, N-Acetyl-L-methionine (CAS 65-82-7)

    981. HMDB0000512, N-Acetyl-L-phenylalanine (CAS 2018-61-3)

    982. HMDB0094701, N-Acetyl-L-Proline (CAS 68-95-1)

    983. HMDB0000866, N-Acetyl-L-tyrosine (CAS 537-55-3)

    984. HMDB0011757, N-Acetyl-L-valine (CAS 96-81-1)

    985. HMDB0000230, N-Acetylneuraminic acid (CAS 131-48-6)

    986. HMDB0001238, N-Acetylserotonin (CAS 1210-83-9)

    987. HMDB0001487, NADH sodium salt hydrate (CAS 606-68-8)

    988. HMDB0000217, NADP+ sodium salt hydrate (CAS 698999-85-8)

    989. HMDB0000221, NADPH sodium salt (CAS 2646-71-1)

    990. HMDB0061716, N-alpha-Methyl-L-valine (CAS 2480-23-1)

    991. HMDB0002927, Naringin (CAS 10236-47-2)

    992. PUBCHEMCID9894584, Naringin dihydrochalcone (CAS 18916-17-1)

    993. HMDB0014869, Nateglinide (CAS 105816-04-4)

    994. HMDB0000828, N-Carbamoyl-DL-aspartic acid (CAS 923-37-5)

    995. HMDB0062795, N-Carbamyl-L-Glutamic Acid (CAS 1188-38-1)

    996. HMDB0030748, Neohesperidin (CAS 13241-33-3)

    997. HMDB0030542, Neohesperidin dihydrochalcone (CAS 20702-77-6)

    998. HMDB0034566, Neotame (CAS 165450-17-9)

    999. HMDB0000206, N-Epsilon-acetyl-l-lysine (CAS 692-04-6)

    1000. HMDB0005812, Nerol (CAS 106-25-2)

  • List of compounds (continued)

    1001. HMDB0002368, Nervonic acid (CAS 506-37-6)

    1002. PUBCHEMCID1549025, Neryl acetate (CAS 141-12-8)

    1003. HMDB0037834, N-Ethyl-5-methyl-2-(1-methylethyl)-cyclohexanecarboxamide (CAS 39711-79-0)

    1004. HMDB0255145, N-Formyl-glycine (CAS 2491-15-8)

    1005. PUBCHEMCID1810758, N-Formyl-L-alanine (CAS 10512-86-4)

    1006. HMDB0001015, N-Formyl-L-methionine (CAS 4289-98-9)

    1007. HMDB0240317, N-Formyl-L-phenylalanine (CAS 13200-85-6)

    1008. HMDB0001539, NG,NG-dimethyl-L-Arginine (CAS 30315-93-6)

    1009. HMDB0001406, Niacinamide (CAS 98-92-0)

    1010. HMDB0001488, Nicotinic acid (CAS 59-67-6)

    1011. HMDB0013272, N-Lauroylglycine (CAS 7596-88-5)

    1012. PUBCHEMCID7515, N-Methylaniline (CAS 100-61-8)

    1013. HMDB0002393, N-Methyl-D-aspartic acid (CAS 6384-92-5)

    1014. HMDB0240291, N-Methyl-D-glucamine (CAS 6284-40-8)

    1015. HMDB0094692, N-Methyl-L-alanine (CAS 3913-67-5)

    1016. HMDB0003152, N-Methylnicotinamide (CAS 114-33-0)

    1017. HMDB0003633, N-Methyltyramine HCl (CAS 13062-76-5)

    1018. HMDB0000772, Nonadecanoic acid (CAS 646-30-0)

    1019. PUBCHEMCID15610, Nonadecanoic acid methyl ester (CAS 1731-94-8)

    1020. HMDB0000847, Nonanoic acid (CAS 112-05-0)

    1021. HMDB0029846, Nonivamide (CAS 2444-46-4)

    1022. HMDB0014325, Nordihydroguaiaretic Acid (CAS 500-38-9)

    1023. HMDB0032574, n-Propyl 4-hydroxybenzoate (CAS 94-13-3)

    1024. HMDB0013308, N-Stearoylglycine (CAS 6333-54-6)

    1025. HMDB0004620, N-α-Acetyl-L-arginine (CAS 155-84-0)

    1026. HMDB0006029, N-α-Acetyl-L-glutamine (CAS 2490-97-3)

    1027. HMDB0003357, Nα-Acetyl-L-ornithine (CAS 1572591)

    1028. HMDB0000201, O-Acetyl-L-carnitine HCl (CAS 5080-50-2)

    1029. HMDB0003011, O-Acetyl-L-serine hydrochloride (CAS 66638-22-0)

    1030. HMDB0002055, o-Cresol (CAS 95-48-7)

    1031. HMDB0031294, Octan-2-one (CAS 111-13-7)

    1032. HMDB0004825, Octopamine HCl (CAS 770-05-8)

    1033. HMDB0001140, Octyl aldehyde (CAS 124-13-0)

    1034. HMDB0033375, Octyl gallate (CAS 1034-01-1)

    1035. HMDB0002364, Oleanolic acid (CAS 508-02-1)

    1036. HMDB0000207, Oleic acid sodium salt (CAS 143-19-1)

    1037. PUBCHEMCID16038806, O-Methyl-L-serine hydrochloride (CAS 336100-47-1)

    1038. HMDB0006049, O-Phospho-L-tyrosine (CAS 21820-51-9)

    1039. HMDB0000224, O-Phosphorylethanolamine (CAS 1071-23-4)

    1040. HMDB0000226, Orotic acid anhydrous (CAS 65-86-1)

    1041. HMDB0000669, Ortho-Hydroxyphenylacetic acid (CAS 614-75-5)

    1042. PUBCHEMCID10228, Osthol (CAS 484-12-8)

    1043. HMDB0002340, o-Toluic acid (CAS 118-90-1)

    1044. HMDB0041965, o-Toluidine hydrochloride (CAS 636-21-5)

    1045. PUBCHEMCID8991, o-Vanillin (CAS 148-53-8)

    1046. HMDB0000223, Oxalacetic acid (CAS 328-42-7)

    1047. HMDB0002329, Oxalic acid (CAS 144-62-7)

    1048. HMDB0000786, Oxipurinol (CAS 2465-59-0)

    1049. PUBCHEMCID5281717, Oxyresveratrol (CAS 29700-22-9)

    1050. HMDB0029911, Palatinitol (CAS 64519-82-0)

    1051. PUBCHEMCID439559, Palatinose (CAS 13718-94-0)

    1052. HMDB0061859, Palmitic acid methyl ester (CAS 112-39-0)

    1053. HMDB0003229, Palmitoleic acid (CAS 373-49-9)

    1054. HMDB0001101, p-Anisic acid (CAS 100-09-4)

    1055. HMDB0002035, p-Coumaric acid (CAS 7400-08-0)

    1056. HMDB0001858, p-Cresol (CAS 106-44-5)

    1057. HMDB0005805, p-Cymene (CAS 99-87-6)

    1058. HMDB0031081, Pentadecan-2-one (CAS 2345-28-0)

    1059. HMDB0000826, Pentadecanoic acid (CAS 1002-84-2)

    1060. PUBCHEMCID26722, Pentadecanoic Acid methyl ester (CAS 7132-64-1)

    1061. HMDB0014944, Pentoxifylline (CAS 1677687)

    1062. HMDB0035652, Perillartine (CAS 30950-27-7)

    1063. HMDB0035018, Phenethyl cinnamate (CAS 103-53-7)

    1064. HMDB0000228, Phenol (CAS 108-95-2)

    1065. HMDB0040733, Phenyl acetate (CAS 122-79-2)

    1066. HMDB0006236, Phenylacetaldehyde (CAS 122-78-1)

    1067. HMDB0006344, PhenylAc-Gln-OH (CAS 28047-15-6)

    1068. HMDB0000821, Phenylac-Gly-OH (CAS 500-98-1)

    1069. HMDB0061916, Phenylglyoxal monohydrate (CAS 1074-12-0)

    1070. HMDB0033716, Phenylpropyl aldehyde (CAS 104-53-0)

    1071. HMDB0003306, Phloretin (CAS 60-82-2)

    1072. HMDB0036634, Phloridzin (CAS 60-81-1)

    1073. HMDB0013675, Phloroglucinol (CAS 108-73-6)

    1074. HMDB0000263, Phospho(enol)pyruvic acid Monopotassium Salt (CAS 4265-07-0)

    1075. HMDB0001565, Phosphocholine chloride calcium salt tetrahydrate (CAS 4826-71-5)

    1076. HMDB0000272, Phosphoserine (CAS 407-41-0)

    1077. HMDB0002107, Phthalic acid (CAS 88-99-3)

    1078. HMDB0032614, Piperonyl acetate (CAS 326-61-4)

    1079. HMDB0041481, Piperonyl acetone (CAS 55418-52-5)

    1080. HMDB0029686, p-Methoxybenzaldehyde (CAS 123-11-5)

    1081. HMDB0000613, Potassium D-erythronate (CAS 88759-55-1)

    1082. HMDB0029581, Potassium sorbate (CAS 24634-61-5)

    1083. HMDB0031188, Potassium thioacetate (CAS 10387-40-3)

    1084. HMDB0014998, Prednisolone (CAS 50-24-8)

    1085. HMDB0001830, Progesterone (CAS 57-83-0)

    1086. PUBCHEMCID6578, Propionamide (CAS 79-05-0)

    1087. HMDB0000824, Propionyllevocarnitine (CAS 119793-66-7)

    1088. HMDB0033835, Propyl gallate (CAS 121-79-9)

    1089. HMDB0130987, Pterostilbene (CAS 537-42-8)

    1090. HMDB0029638, p-Tolualdehyde (CAS 104-87-0)

    1091. HMDB0059933, p-Toluenesulfonic acid monohydrate (CAS 6192-52-5)

    1092. HMDB0240265, Puerarin (CAS 3681-99-0)

    1093. HMDB0001366, Purine (CAS 120-73-0)

    1094. PUBCHEMCID6683, Purpurin (CAS 81-54-9)

    1095. HMDB0256947, Pyrazole (CAS 288-13-1)

    1096. HMDB0001545, Pyridoxal HCl (CAS 65-22-5)

    1097. HMDB0001431, Pyridoxamine 2HCl (CAS 524-36-7)

    1098. HMDB0000239, Pyridoxine HCl (CAS 58-56-0)

    1099. HMDB0003361, Pyrimidine (CAS 289-95-2)

    1100. HMDB0013674, Pyrogallol (CAS 87-66-1)

  • List of compounds (continued)

    1101. HMDB0004230, Pyrrole-2-carboxylic acid (CAS 634-97-9)

    1102. HMDB0001167, Pyruvic Aldehyde sln aq 35-45% (CAS 78-98-8)

    1103. HMDB0005794, Quercetin (CAS 117-39-5)

    1104. HMDB0000842, Quinaldic acid (CAS 34249)

    1105. HMDB0033731, Quinoline (CAS 91-22-5)

    1106. PUBCHEMCID10243, Quinoline-4-carboxylic acid (CAS 486-74-8)

    1107. PUBCHEMCID5320521, Raspberry ketone glucoside (CAS 38963-94-9)

    1108. HMDB0034950, Rebaudioside-A (CAS 58543-16-1)

    1109. HMDB0014351, Reserpine (CAS 50-55-5)

    1110. HMDB0032037, Resorcinol (CAS 108-46-3)

    1111. HMDB0003747, Resveratrol (CAS 501-36-0)

    1112. HMDB0001852, Retinoic acid (CAS 302-79-4)

    1113. HMDB0000305, Retinol (CAS 68-26-8)

    1114. HMDB0035185, Retinyl acetate (CAS 127-47-9)

    1115. HMDB0003648, Retinyl palmitate (CAS 79-81-2)

    1116. HMDB0032876, Rhein (CAS 478-43-3)

    1117. HMDB0031786, Rhodamine B (CAS 81-88-9)

    1118. HMDB0000508, Ribitol (CAS 488-81-3)

    1119. HMDB0000244, Riboflavin (CAS 83-88-5)

    1120. HMDB0001520, Riboflavin 5'-Monophosphate Sodium Salt (CAS 130-40-5)

    1121. HMDB0042008, Ritalinic Acid (CAS 19395-41-6)

    1122. HMDB0003572, Rosmarinic acid (CAS 20283-92-5)

    1123. HMDB0034436, Rotenone (CAS 83-79-4)

    1124. HMDB0042010, Rutaecarpine (CAS 84-26-4)

    1125. HMDB0003249, Rutin (CAS 153-18-4)

    1126. HMDB0001185, S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt (CAS 52248-03-0)

    1127. HMDB0029723, Saccharin sodium dihydrate (CAS 6155-57-3)

    1128. HMDB0036061, Safranal (CAS 116-26-7)

    1129. HMDB0015687, Salicylamide (CAS 65-45-2)

    1130. HMDB0000840, Salicyluric acid (CAS 487-54-7)

    1131. HMDB0034323, S-Allyl-L-cysteine (CAS 21593-77-1)

    1132. PUBCHEMCID221071, Santonin (CAS 481-06-1)

    1133. HMDB0000271, Sarcosine (CAS 107-97-1)

    1134. HMDB0036827, Sclareol (CAS 515-03-7)

    1135. HMDB0035293, Sclareolide (CAS 564-20-5)

    1136. HMDB0000792, Sebacic acid (CAS 111-20-6)

    1137. HMDB0000259, Serotonin HCl (CAS 153-98-0)

    1138. HMDB0033812, Sesamol (CAS 533-31-3)

    1139. HMDB0003070, Shikimic acid (CAS 138-59-0)

    1140. HMDB0030583, Silybin (CAS 802918-57-6)

    1141. HMDB0032616, Sinapic acid (CAS 530-59-6)

    1142. HMDB0302211, S-Methyl-L-cysteine (CAS 1187-84-4)

    1143. HMDB0029432, S-Methyl-L-cysteine sulfoxide (CAS 6853-87-8)

    1144. HMDB0000086, sn-glycero-3-Phosphocholine (CAS 28319-77-9)

    1145. HMDB0000126, sn-Glycerol-3-phosphate (cyclohexyl ammonium salt hydrate) (CAS 29849-82-9)

    1146. HMDB0031230, Sodium 2-ethylhexanoate (CAS 19766-89-3)

    1147. HMDB0000482, Sodium caprylate (CAS 30834)

    1148. HMDB0031340, Sodium cyclamate (CAS 139-05-9)

    1149. HMDB0033129, Sodium dehydroacetate (CAS 4418-26-2)

    1150. HMDB0000625, Sodium D-gluconate (CAS 527-07-1)

    1151. HMDB0000210, Sodium D-Pantothenate (CAS 867-81-2)

    1152. PUBCHEMCID3423265, Sodium lauryl sulfate (CAS 151-21-3)

    1153. HMDB0003502, Sodium phytate hydrate (CAS 14306-25-3)

    1154. HMDB0000237, Sodium Propionate (CAS 137-40-6)

    1155. HMDB0000243, Sodium pyruvate (CAS 113-24-6)

    1156. HMDB0015470, Sodium salicylate (CAS 54-21-7)

    1157. HMDB0000951, Sodium taurochenodeoxycholate (CAS 6009-98-9)

    1158. HMDB0001453, Sodium thiocyanate (CAS 540-72-7)

    1159. PUBCHEMCID5477212, Solanesol (CAS 13190-97-1)

    1160. PUBCHEMCID3766139, Solvent Blue 35 (CAS 17354-14-2)

    1161. HMDB0001257, Spermidine (CAS 124-20-9)

    1162. HMDB0001256, Spermine tetra HCl (CAS 306-67-2)

    1163. HMDB0000256, Squalene (CAS 111-02-4)

    1164. HMDB0000827, Stearic acid (CAS 21128)

    1165. HMDB0034154, Stearic Acid methyl ester (CAS 112-61-8)

    1166. HMDB0002350, Stearyl alcohol (CAS 112-92-5)

    1167. HMDB0000937, Stigmasterol (CAS 83-48-7)

    1168. HMDB0034240, Styrene (stabilized with TBC) (CAS 100-42-5)

    1169. HMDB0000893, Suberic acid (CAS 505-48-6)

    1170. HMDB0000254, Succinic acid (CAS 110-15-6)

    1171. HMDB0032523, Succinic anhydride (CAS 108-30-5)

    1172. HMDB0031554, Sucralose (CAS 56038-13-2)

    1173. HMDB0000258, Sucrose (CAS 57-50-1)

    1174. HMDB0014743, Sulindac (CAS 38194-50-2)

    1175. HMDB0004826, Synephrine (CAS 34520)

    1176. HMDB0258653, Syringaldehyde (CAS 134-96-3)

    1177. HMDB0002085, Syringic acid (CAS 530-57-4)

    1178. HMDB0000251, Taurine (CAS 107-35-7)

    1179. HMDB0000036, Taurocholic Acid (sodium salt) (CAS 145-42-6)

    1180. HMDB0000896, Taurodeoxycholic acid sodium salt hydrate (CAS 207737-97-1)

    1181. HMDB0000874, Tauroursodeoxycholic acid, Na salt (CAS 14605-22-2)

    1182. HMDB0002428, Terephthalic acid (CAS 100-21-0)

    1183. HMDB0035595, Terpin Monohydrate (CAS 201256)

    1184. HMDB0035833, Terpinen-4-ol (CAS 562-74-3)

    1185. HMDB0036994, Terpinolene (CAS 586-62-9)

    1186. HMDB0000872, Tetradecanedioic acid (CAS 821-38-5)

    1187. HMDB0005789, Tetrahydrocurcumin (CAS 36062-04-1)

    1188. HMDB0035246, Tetrahydrolinalool (CAS 78-69-3)

    1189. HMDB0004328, Theacrine (CAS 2309-49-1)

    1190. HMDB0002825, Theobromine (CAS 83-67-0)

    1191. HMDB0001889, Theophylline (CAS 58-55-9)

    1192. PUBCHEMCID3001376, Thiamine disulfide (CAS 67-16-3)

    1193. HMDB0000235, Thiamine hydrochloride (CAS 24539)

    1194. HMDB0001372, Thiamine pyrophosphate hydrochloride (CAS 154-87-0)

    1195. HMDB0029713, Thiazole (CAS 288-47-1)

    1196. HMDB0034155, Thiourea (CAS 62-56-6)

    1197. HMDB0000273, Thymidine (CAS 50-89-5)

    1198. HMDB0000262, Thymine (CAS 65-71-4)

    1199. HMDB0001878, Thymol (CAS 89-83-8)

    1200. HMDB0034732, Thymoquinon (CAS 490-91-5)

  • List of compounds (continued)

    1201. HMDB0001470, Tiglic acid (CAS 80-59-1)

    1202. HMDB0014447, Tranexamic Acid (CAS 1197-18-8)

    1203. HMDB0004305, trans,trans-Farnesol (CAS 106-28-5)

    1204. HMDB0002349, trans,trans-Muconic acid (CAS 3588-17-8)

    1205. HMDB0000393, trans-2-Butene-1,4-dicarboxylic acid (CAS 4436-74-2)

    1206. HMDB0031496, trans-2-Hexenal (CAS 6728-26-3)

    1207. HMDB0002641, trans-2-Hydroxycinnamic acid (CAS 614-60-8)

    1208. HMDB0031512, Trans-2-methyl-2-butenal (CAS 497-03-0)

    1209. HMDB0031560, trans-2-Methyl-2-pentenoic Acid (CAS 16957-70-3)

    1210. HMDB0001713, trans-3-Hydroxycinnamic acid (CAS 588-30-7)

    1211. HMDB0000734, trans-3-Indoleacrylic acid (CAS 1204-06-4)

    1212. HMDB0001988, trans-4-Hydroxycyclohexanecarboxylic Acid (CAS 3685-26-5)

    1213. HMDB0000725, trans-4-L-Hydroxyproline (CAS 51-35-4)

    1214. HMDB0000958, trans-Aconitic acid (CAS 4023-65-8)

    1215. HMDB0030837, trans-Anethole (CAS 104-46-1)

    1216. HMDB0003066, trans-Chalcone (CAS 614-47-1)

    1217. HMDB0003441, trans-Cinnamaldehyde (CAS 14371-10-9)

    1218. HMDB0000930, trans-Cinnamic acid (CAS 140-10-3)

    1219. HMDB0035662, trans-Nerolidol (CAS 40716-66-3)

    1220. HMDB0000301, trans-Urocanic Acid (CAS 3465-72-3)

    1221. HMDB0000933, Traumatic acid (CAS 6402-36-4)

    1222. HMDB0001940, Triamterene (CAS 396-01-0)

    1223. HMDB0031193, Tricarballylic acid (CAS 99-14-9)

    1224. HMDB0002327, Tridecanedioic acid (CAS 505-52-2)

    1225. HMDB0000910, Tridecanoic acid (CAS 638-53-9)

    1226. PUBCHEMCID15608, Tridecanoic Acid methyl ester (CAS 1731-88-0)

    1227. HMDB0034263, Triethyl citrate (CAS 77-93-0)

    1228. HMDB0000875, Trigonelline hydrochloride (CAS 6138-41-6)

    1229. HMDB0041992, Trimethylacetic acid (CAS 75-98-9)

    1230. HMDB0000906, Trimethylamine hydrochloride (CAS 593-81-7)

    1231. HMDB0000925, Trimethylamine N-oxide (CAS 62637-93-8)

    1232. HMDB0015575, Trioxsalen (CAS 3902-71-4)

    1233. HMDB0032857, Tripropionin (CAS 139-45-7)

    1234. HMDB0062590, Tropic acid (CAS 552-63-6)

    1235. HMDB0000303, Tryptamine (CAS 61-54-1)

    1236. HMDB0003447, Tryptophol (CAS 526-55-6)

    1237. HMDB0000306, Tyramine (CAS 51-67-2)

    1238. HMDB0000286, UDP-α-D-Glucose (sodium salt) (CAS 28053-08-9)

    1239. HMDB0060079, UDP-β-D-Glucose (sodium salt) (CAS 7333-33-7)

    1240. HMDB0000888, Undecanedioic acid (CAS 1852-04-6)

    1241. HMDB0000947, Undecanoic acid (CAS 112-37-8)

    1242. HMDB0000300, Uracil (CAS 66-22-8)

    1243. HMDB0000294, Urea (CAS 57-13-6)

    1244. HMDB0000289, Uric acid (CAS 69-93-2)

    1245. HMDB0000296, Uridine (CAS 58-96-8)

    1246. HMDB0000295, Uridine 5'-diphosphate disodium salt hydrate (CAS 27821-45-0)

    1247. HMDB0000285, Uridine 5'-triphosphate (sodium salt) (CAS 19817-92-6)

    1248. HMDB0000288, Uridine-5'-phosphoric acid disodium salt (CAS 3387-36-8)

    1249. HMDB0000946, Ursodeoxycholic acid (CAS 128-13-2)

    1250. HMDB0002395, Ursolic acid (CAS 77-52-1)

    1251. PUBCHEMCID12298, Valeramide (CAS 626-97-1)

    1252. HMDB0000892, Valeric acid (CAS 109-52-4)

    1253. HMDB0031208, Valerophenone (CAS 1009-14-9)

    1254. HMDB0001877, Valproic acid sodium salt (CAS 1069-66-5)

    1255. HMDB0000484, Vanillic acid (CAS 121-34-6)

    1256. HMDB0012308, Vanillin (CAS 121-33-5)

    1257. HMDB0029663, Vanillin acetate (CAS 881-68-5)

    1258. PUBCHEMCID5354280, Vanitrope (CAS 94-86-0)

    1259. HMDB0000607, Vitamin B12 (CAS 68-19-9)

    1260. HMDB0000044, Vitamin C (CAS 50-81-7)

    1261. HMDB0000900, Vitamin D2 (CAS 50-14-6)

    1262. HMDB0000876, Vitamin D3 (CAS 67-97-0)

    1263. HMDB0034227, Vitamin E acetate (CAS 7695-91-2)

    1264. HMDB0003555, Vitamin K1 (CAS 84-80-0)

    1265. HMDB0032725, Vitamin K4 (CAS 573-20-6)

    1266. HMDB0059817, Whiskey lactone, mixture of cis and trans (CAS 39212-23-2)

    1267. HMDB0000292, Xanthine (CAS 69-89-6)

    1268. HMDB0000299, Xanthosine dihydrate (CAS 146-80-5)

    1269. HMDB0029645, Xanthoxylin (CAS 90-24-4)

    1270. HMDB0000881, Xanthurenic acid (CAS 59-00-7)

    1271. HMDB0002917, Xylitol (CAS 87-99-0)

    1272. HMDB0031313, α-Amylcinnamic aldehyde (CAS 122-40-7)

    1273. HMDB0031469, α-Asarone (CAS 2883-98-9)

    1274. HMDB0036197, α-Bisabolol (CAS 515-69-5)

    1275. HMDB0036027, α-Damascone (CAS 43052-87-5)

    1276. HMDB0000645, α-D-Galactose-1-phosphate (potassium salt hydrate ) (CAS 19046-60-7)

    1277. HMDB0001586, α-D-Glucose-1-phosphate (sodium salt hydrate) (CAS 150399-99-8)

    1278. HMDB0000186, α-D-Lactose monohydrate (CAS 5989-81-1)

    1279. HMDB0000407, α-Hydroxyisovaleric acid (CAS 4026-18-0)

    1280. PUBCHEMCID637817, α-Methyl-cinnamic acid (CAS 1199-77-5)

    1281. PUBCHEMCID11790, α-Naphthoflavone (CAS 604-59-1)

    1282. HMDB0036995, α-Terpinene (CAS 99-86-5)

    1283. HMDB0004043, α-Terpineol (CAS 10482-56-1)

    1284. HMDB0000056, β-Alanine (CAS 107-95-9)

    1285. PUBCHEMCID2734767, β-Alanine methyl ester hydrochloride (CAS 3196-73-4)

    1286. HMDB0000561, β-Carotene (CAS 7235-40-7)

    1287. HMDB0036792, β-Caryophyllene (CAS 87-44-5)

    1288. HMDB0001151, β-D-Allose (CAS 1966347)

    1289. HMDB0002520, β-Glycerophosphate sodium salt hydrate (CAS 13408-09-8)

    1290. HMDB0032540, β-Homocyclocitral (CAS 472-66-2)

    1291. HMDB0036565, β-Ionone (CAS 79-77-6)

    1292. HMDB0038169, β-Myrcene (CAS 123-35-3)

    1293. HMDB0000902, β-nicotinamide adenine dinucleotide hydrate (CAS 53-84-9)

    1294. HMDB0000229, β-Nicotinamide mononucleotide (CAS 1094-61-7)

    1295. HMDB0000112, γ-Aminobutyric acid (CAS 20791)

    1296. HMDB0003843, γ-Hexanolactone (CAS 695-06-7)

    1297. HMDB0005806, γ-Terpinene (CAS 99-85-4)

    1298. HMDB0000150, δ-Gluconolactone (CAS 90-80-2)

    1299. HMDB0036784, δ-Undecalactone (CAS 710-04-3)

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