EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220300 - 4alpha-methyl-9alpha-methoxyandrosta-8,15-diene-3,17-dione

ChEBI IDCHEBI:220300
ChEBI Name4alpha-methyl-9alpha-methoxyandrosta-8,15-diene-3,17-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILESCO[C@]12CC[C@]3(C)C(=O)C=CC3=C1CC[C@H]1[C@H](C)C(=O)CC[C@@]12C
InChIInChI=1S/C21H28O3/c1-13-14-5-6-16-15-7-8-18(23)19(15,2)11-12-21(16,24-4)20(14,3)10-9-17(13)22/h7-8,13-14H,5-6,9-12H2,1-4H3/t13-,14-,19-,20-,21+/m0/s1
InChIKeySOHXMQHQDKVMCB-QLKGZJGRSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (28029060)
ChEBI Ontology
Outgoing Relation(s)
4alpha-methyl-9alpha-methoxyandrosta-8,15-diene-3,17-dione (CHEBI:220300) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(4S,5S,9S,10S,13S)-9-methoxy-4,10,13-trimethyl-1,2,4,5,6,7,11,12-octahydrocyclopenta[a]phenanthrene-3,17-dione
Manual XrefsDatabases
78441850ChemSpider