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CHEBI:182753 - MCULE-1046953863

ChEBI IDCHEBI:182753
ChEBI NameMCULE-1046953863
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O6
Net Charge0
Average Mass446.584
Monoisotopic Mass446.26684
SMILESCOC(=O)C12C(=O)C(C)=C(O)C1(C)C(C)=CC1C3(CO)CCC(O)C(C)(C)C3CCC12C
InChIInChI=1S/C26H38O6/c1-14-12-17-23(5,10-8-16-22(3,4)18(28)9-11-25(16,17)13-27)26(21(31)32-7)20(30)15(2)19(29)24(14,26)6/h12,16-18,27-29H,8-11,13H2,1-7H3
InChIKeyQTTUBTNSWLIYPX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
MCULE-1046953863 (CHEBI:182753) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl 3,17-dihydroxy-10-(hydroxymethyl)-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate