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QUE

Summary
Name:3,5,7,3',4'-PENTAHYDROXYFLAVONE
Synonyms:QUERCETIN
Formula:C15 H10 O7
Formal charge:0
Formula weight:302.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
OpenEye OEToolkits1.5.02-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O
SMILES_CANONICALCACTVS3.341Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
SMILESCACTVS3.341Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
InChIInChI1.03InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKeyInChI1.03REFJWTPEDVJJIY-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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