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Flavan-3-ols
Description:
Flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4.
Ancestors:
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(-)-Epigallocatechin-3-(3''-O-methyl) gallateCas Number: 83104-87-4 Compound CID: 9804842IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoateSMILES: COC1=CC(=CC(=C1O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)OInChIKey: WVRDOLPMKOCJRJ-DENIHFKCSA-NInChI: show more
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Epicatechin pentaacetateCas Number: 20194-41-6 Compound CID: 5317058IUPAC Name: [(2R,3R)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetateSMILES: CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)CInChIKey: BKYWAYNSDFXIPL-JWQCQUIFSA-NInChI: show more
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Catechin pentaacetateCas Number: 16198-01-9 Compound CID: 5315742IUPAC Name: [(2R,3S)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetateSMILES: CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)CInChIKey: BKYWAYNSDFXIPL-LOSJGSFVSA-NInChI: show more
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2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triolCas Number: 13392-26-2Formula: C15H14O6 Molecular Weight: 290.27IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OInChIKey: PFTAWBLQPZVEMU-UHFFFAOYSA-NInChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
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(-)-EpiafzelechinCas Number: 24808-04-6 Compound CID: 443639IUPAC Name: (2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)OInChIKey: RSYUFYQTACJFML-UKRRQHHQSA-NInChI: InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1
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TheaflavinCas Number: 4670-05-7 Compound CID: 135403798Formula: C29H24O12 Molecular Weight: 564.49IUPAC Name: 3,4,6-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-oneSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)OInChIKey: IPMYMEWFZKHGAX-ZKSIBHASSA-NInChI: show more
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Theaflavin 3,3'-digallateCas Number: 30462-35-2 Compound CID: 135403795Formula: C43H32O20 Molecular Weight: 868.7Synonyms: TF-3 | ZP10 | 8-Gingerol
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(+)-AfzelechinCas Number: 2545-00-8 Compound CID: 442154Formula: C15H14O5 Molecular Weight: 274.27SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
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theaflavin-3′-O-gallateIUPAC Name: show moreSMILES: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C3C=C(C=C(C4=O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OInChIKey: KMJPKUVSXFVQGZ-WQLSNUALSA-NInChI: show moreSynonyms: Theaflavin-3-O-gallate | [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-...
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(+)-Catechin hydrateCas Number: 225937-10-0 EC Number: 205-825-1Formula: C15H14O6·xH2O Molecular Weight: 290.27IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.OInChIKey: OFUMQWOJBVNKLR-NQQJLSKUSA-NInChI: InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1Synonyms: 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R,3S)- | (+/-)-Catechin hydrate, pr...
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(−)-EpicatechinCas Number: 490-46-0 EC Number: 207-710-1Formula: C15H14O6 Molecular Weight: 290.27IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OInChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-NInChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1Synonyms: .alpha. Catechin | A12043 | KBio2_005775 | 1,2-Ethanedisulfonicacid | 2-(3,4-Dihydroxyphenyl)-2,3,4-trihydro-3,5,7-tr...
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Tea polyphenolCas Number: 84650-60-2Formula: C22H18O11 Molecular Weight: 458.4IUPAC Name: [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: WMBWREPUVVBILR-UHFFFAOYSA-NInChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2Synonyms: DTXSID00859570 | FT-0686614 | 3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl es...
