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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

ChEBI IDCHEBI:110164
ChEBI Namebenzoic acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
Stars
DownloadsMolfile
FormulaC25H26O3
Net Charge0
Average Mass374.480
Monoisotopic Mass374.18819
SMILESC[C@]12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2=O
InChIInChI=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
InChIKeyHKUKRSLIEVXDMS-DJYNTIJESA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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