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SummaryGeometryRelated PDB entries

6JM

Summary
Name:2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-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)-3,6-dihydroxy-4H-1-benzopyran-4-one
OpenEye OEToolkits2.0.42-[3,4-bis(oxidanyl)phenyl]-3,6-bis(oxidanyl)chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(O)c(O)ccc1C=3Oc2ccc(O)cc2C(C=3O)=O
InChIInChI1.03InChI=1S/C15H10O6/c16-8-2-4-12-9(6-8)13(19)14(20)15(21-12)7-1-3-10(17)11(18)5-7/h1-6,16-18,20H
InChIKeyInChI1.03BXPBSBBFPNTFFT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc2OC(=C(O)C(=O)c2c1)c3ccc(O)c(O)c3
SMILESCACTVS3.385Oc1ccc2OC(=C(O)C(=O)c2c1)c3ccc(O)c(O)c3
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O
SMILESOpenEye OEToolkits2.0.4c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O

225946

PDB entries from 2024-10-09

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