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SummaryGeometryRelated PDB entries

ZFR

Summary
Name:(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
Formula:C17 H24 O4
Formal charge:0
Formula weight:292.37 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
OpenEye OEToolkits1.9.2(E,10S)-1-[3,5-bis(oxidanyl)phenyl]-10-oxidanyl-undec-1-en-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O
InChIInChI1.03InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1
InChIKeyInChI1.03TVXRLKRGDWQGQV-MXPWBENCSA-N
SMILES_CANONICALCACTVS3.385C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c1
SMILESCACTVS3.385C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
SMILESOpenEye OEToolkits1.9.2CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O

223166

PDB entries from 2024-07-31

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