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SummaryGeometryRelated PDB entries

7EG

Summary
Name:2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol
Formula:C19 H15 N O4
Formal charge:0
Formula weight:321.327 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol
OpenEye OEToolkits2.0.62-[(~{E})-hydroxyiminomethyl]-3,4-bis(4-hydroxyphenyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)c2c(c(O)ccc2c3ccc(cc3)O)\C=N\O
InChIInChI1.03InChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+
InChIKeyInChI1.03SFUGTTJDFJMSGN-RGVLZGJSSA-N
SMILES_CANONICALCACTVS3.385O/N=C/c1c(O)ccc(c2ccc(O)cc2)c1c3ccc(O)cc3
SMILESCACTVS3.385ON=Cc1c(O)ccc(c2ccc(O)cc2)c1c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)C=NO)O)O

223532

PDB entries from 2024-08-07

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