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SummaryGeometryRelated PDB entries

CC6

Summary
Name:3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula:C15 H10 O6
Formal charge:0
Formula weight:286.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
OpenEye OEToolkits2.0.42-(2-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC=2C(=O)c1c(O)cc(cc1OC=2c3ccccc3O)O
InChIInChI1.03InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H
InChIKeyInChI1.03WCNLFPKXBGWWDS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3O)O
SMILESCACTVS3.385Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3O)O
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
SMILESOpenEye OEToolkits2.0.4c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

225158

PDB entries from 2024-09-18

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