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2HI

Summary
Name:(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-4H-CHROMEN-4-ONE
Synonyms:2,7,4'-TRIHYDROXYISOFLAVANONE
Formula:C15 H12 O5
Formal charge:0
Formula weight:272.253 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S,3R)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
OpenEye OEToolkits1.5.0(2S,3R)-2,7-dihydroxy-3-(4-hydroxyphenyl)chroman-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c3c(OC(O)C1c2ccc(O)cc2)cc(O)cc3
SMILES_CANONICALCACTVS3.341O[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1c3ccc(O)cc3
SMILESCACTVS3.341O[CH]1Oc2cc(O)ccc2C(=O)[CH]1c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C2C(Oc3cc(ccc3C2=O)O)O)O
InChIInChI1.03InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H/t13-,15-/m0/s1
InChIKeyInChI1.03YACUBWOKTPOMNW-ZFWWWQNUSA-N

218853

PDB entries from 2024-04-24

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