CUE

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Summary

Name:Coumestrol
Synonyms:3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
Formula:C15 H8 O5
Formal charge:0
Molecular weight:268.221 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
OpenEye OEToolkits1.7.63,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23
InChIInChI1.03InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKeyInChI1.03ZZIALNLLNHEQPJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1
SMILESCACTVS3.385Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O
169117
PDB entries from 2020-09-23