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(3R,4R)-7,2',4'-trihydroxyisoflavanol

PropertiesImage
MNX_IDMNXM97360 Image of MNXM97360
referencechebi:142869
formulaC15H14O5
global charge0
mol weight274.272
InChIKeyGEFJKNBTBQBFOH-WFASDCNBSA-N
InChIInChI=1S/C15H14O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,15-19H,7H2/t12-,15-/m0/s1
SMILESOC1=CC=C2C(=C1)OC[C@@H](C1=C(O)C=C(O)C=C1)[C@H]2O
MNX internals
InChI (mnx)InChI=1/C15H14O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,15-19H,7H2/t12-,15-/m0/s1 Image of MNXM97360
SMILES (mnx)[CH:1]1=[CH:3][C:10]([C@@H:12]2[CH2:7][O:20][C:14]3=[C:11]([CH:4]=[CH:2][C:9]([OH:17])=[CH:6]3)[C@@H:15]2[OH:19])=[C:13]([OH:18])[CH:5]=[C:8]1[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142869
chebi:142869
GEFJKNBTBQBFOH-WFASDCNBSA-N 		(3R,4R)-7,2',4'-trihydroxyisoflavanol
(3R,4R)-3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
(3R,4R)-3-(2,4-dihydroxyphenyl)chromane-4,7-diol

seed.compound:cpd30781
seedM:cpd30781
GEFJKNBTBQBFOH-WFASDCNBSA-N 		(3R)-3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol
(3R,4R)-3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol
(3R,4R)-7,2',4'-trihydroxyisoflavanol

metacyc.compound:CPD-14740
metacycM:CPD-14740
GEFJKNBTBQBFOH-WFASDCNBSA-N 		(3R,4R)-7,2',4'-trihydroxyisoflavanol
(3R,4R)-3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol

seedM:M_cpd30781 		secondary/obsolete/fantasy identifier