CHEBI:110164 - benzoic acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester

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ChEBI Name benzoic acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
ChEBI ID CHEBI:110164
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H26O3
Net Charge 0
Average Mass 374.473
Monoisotopic Mass 374.18819
InChI InChI=1S/C25H26O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20?,21?,22?,25-/m0/s1
InChIKey HKUKRSLIEVXDMS-DJYNTIJESA-N
SMILES C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
ChEBI Ontology
Outgoing benzoic acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester (CHEBI:110164) has parent hydride estrane (CHEBI:23966)
benzoic acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester (CHEBI:110164) is a steroid (CHEBI:35341)
Manual Xref Database
LSM-21592 LINCS
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