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CHEBI:229836 - ximaosteroid c

ChEBI IDCHEBI:229836
ChEBI Nameximaosteroid c
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O3
Net Charge0
Average Mass398.587
Monoisotopic Mass398.28210
SMILESC=C[C@H]1CC[C@H]2[C@@H]3C[C@H](CC(C)=O)[C@H]4C[C@@H](OC(C)=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C26H38O3/c1-6-19-7-8-22-21-14-18(13-16(2)27)24-15-20(29-17(3)28)9-11-26(24,5)23(21)10-12-25(19,22)4/h6,9,11,18-24H,1,7-8,10,12-15H2,2-5H3/t18-,19-,20-,21-,22-,23-,24+,25+,26+/m0/s1
InChIKeyXDNXSIVIJJJCKQ-SMKAPGMPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
ximaosteroid c (CHEBI:229836) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3R,5R,6R,8S,9S,10S,13R,14S,17R)-17-ethenyl-10,13-dimethyl-6-(2-oxopropyl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-yl] acetate
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