Reference Materials
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CryptotanshinoneCas#: 35825-57-1 Compound CID: 160254Formula: C19H20O3 Molecular Weight: 296.36IUPAC Name: (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CInChIKey: GVKKJJOMQCNPGB-JTQLQIEISA-NInChI: InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1Synonyms: BDBM57938 | Cryptotanshinon;Tanshinone c | MLS001049002 | NCGC00159505-02 | 1-Monolaurin;1-Lauroyl-rac-glycerol | EN3...
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Tetrachloro-1,4-benzoquinoneCas#: 118-75-2 Compound CID: 8371Formula: C6Cl4O2 Molecular Weight: 245.88IUPAC Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dioneSMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)ClInChIKey: UGNWTBMOAKPKBL-UHFFFAOYSA-NInChI: InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11Synonyms: 2,3,5,6-Tetrachloro-p-benzoquinone | DivK1c_006946 | EN300-18125 | Spectrum5_001386 | Spergon | 2,5,6-Tetrachloroquin...
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Kaempferol, Inhibitor of CYP2A13Cas#: 520-18-3 Compound CID: 5280863Formula: C15H10O6 Molecular Weight: 286.24IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IYRMWMYZSQPJKC-UHFFFAOYSA-NInChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20HSynonyms: 5,7,4'-Trihydroxyflavonol | DTXCID30768 | Indigo Yellow | KAEMPFEROL [INCI] | Kampferol | SPBio_003058 | NSC656277 | ...
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Linoleic acid, Agonist of FFA1 receptor;Agonist of FFA4 receptor;Agonist of Hepatocyte nuclear factor-4-α;Activator of K 2P10.1;Activator of K v2.1;Channel blocker of K v2.1;Agonist of Peroxisome proliferator-activated receptor-γ;Channel blocker of TRPM8Cas#: 60-33-3 Compound CID: 5280450Formula: C18H32O2 Molecular Weight: 280.45IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acidSMILES: CCCCCC=CCC=CCCCCCCCC(=O)OInChIKey: OYHQOLUKZRVURQ-HZJYTTRNSA-NInChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-Synonyms: Fatty Acid 18:2 n-6 | Linoleic acid, >=95% | octadeca-9,12-dienoic acid | Pamolyn 125 (Salt/Mix) | (Z,Z)-9,12-Octadec...
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Ursolic acidCas#: 77-52-1 Compound CID: 64945Formula: C30H48O3 Molecular Weight: 456.7IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acidSMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)OInChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-NInChI: InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1Synonyms: 3beta-Hydroxyurs-12-en-28-oic acid | (+)-Ursolic acid | Prunol;Urson;Malol | 3beta-Hydroxy-12-ursen-28-ic acid | Micr...
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Oleanolic acidCas#: 508-02-1 Compound CID: 10494Formula: C30H48O3 Molecular Weight: 456.7IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidSMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)CInChIKey: MIJYXULNPSFWEK-GTOFXWBISA-NInChI: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1Synonyms: Caryophyllin | OLEANOLIC_ACID | SMR000445561 | Oleanolic acid, analytical standard | OLEANOLIC ACID (CONSTITUENT OF H...
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8-Methoxypsoralen, Agonist of TAS2R20Cas#: 298-81-7 Compound CID: 4114Formula: C12H8O4 Molecular Weight: 216.19IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-oneSMILES: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2InChIKey: QXKHYNVANLEOEG-UHFFFAOYSA-NInChI: InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3Synonyms: 8-MOP | 9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE | 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one | 9-Methoxy-7H-furo[3,2-g]ch...
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LupeolCas#: 545-47-1 Compound CID: 259846Formula: C30H50O Molecular Weight: 426.72IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-olSMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CInChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-NInChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1Synonyms: Monogynol B | CHEBI:6570 | DS-3391 | Lup-20(29)-en-3b-ol | Lupeol, analytical standard | Q409366 | Triterpene lupeol ...
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LupeolCas#: 545-47-1 Compound CID: 259846Formula: C30H50O Molecular Weight: 426.72IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-olSMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CInChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-NInChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1Synonyms: Lupeol|545-47-1|Fagarasterol|Clerodol|Monogynol B|farganasterol|Fagarsterol|Lupenol|Triterpene lupeol|beta-Viscol|Lup...
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β-LapachoneCas#: 4707-32-8 Compound CID: 3885Formula: C15H14O3 Molecular Weight: 242.27IUPAC Name: 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dioneSMILES: CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)CInChIKey: QZPQTZZNNJUOLS-UHFFFAOYSA-NInChI: InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3Synonyms: ARQ-501 | 2,2-Dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione | lapachone | NSC 26326 | 3,4-Dihydro-2,2-dimethyl-2...
