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SummaryGeometryRelated PDB entries

FSE

Summary
Name:3,7,3',4'-TETRAHYDROXYFLAVONE
Synonyms:Fisetin
2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE
Formula:C15 H10 O6
Formal charge:0
Formula weight:286.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
OpenEye OEToolkits1.7.02-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3
SMILES_CANONICALCACTVS3.370Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
SMILESCACTVS3.370Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
SMILESOpenEye OEToolkits1.7.0c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
InChIInChI1.03InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
InChIKeyInChI1.03XHEFDIBZLJXQHF-UHFFFAOYSA-N

218196

PDB entries from 2024-04-10

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