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28E

Summary
Name:(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Synonyms:Epicatechin
Formula:C15 H14 O6
Formal charge:0
Formula weight:290.268 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
OpenEye OEToolkits1.7.6(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O
InChIInChI1.03InChI=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/s1
InChIKeyInChI1.03PFTAWBLQPZVEMU-UKRRQHHQSA-N
SMILES_CANONICALCACTVS3.385O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
SMILESCACTVS3.385O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O

217705

PDB entries from 2024-03-27

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