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Q0X

Summary
Name:(Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one
Synonyms:taxifolin chalcone
Formula:C15 H12 O7
Formal charge:0
Formula weight:304.252 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(~{Z})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H12O7/c16-8-5-11(19)14(12(20)6-8)15(22)13(21)4-7-1-2-9(17)10(18)3-7/h1-6,16-21H/b13-4-
InChIKeyInChI1.06CUYYQQQQHCDPCX-PQMHYQBVSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c(c(O)c1)C(=O)/C(O)=C/c2ccc(O)c(O)c2
SMILESCACTVS3.385Oc1cc(O)c(c(O)c1)C(=O)C(O)=Cc2ccc(O)c(O)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1/C=C(/C(=O)c2c(cc(cc2O)O)O)\O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C=C(C(=O)c2c(cc(cc2O)O)O)O)O)O

223532

数据于2024-08-07公开中

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