EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217822 - Gifhornenolone B

ChEBI IDCHEBI:217822
ChEBI NameGifhornenolone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC=C[C@]1(C)C=C2CC[C@@H]3C(C)(CC(=O)[C@H](O)[C@@]3(C)CO)C2CC1
InChIInChI=1S/C20H30O3/c1-5-18(2)9-8-14-13(10-18)6-7-16-19(14,3)11-15(22)17(23)20(16,4)12-21/h5,10,14,16-17,21,23H,1,6-9,11-12H2,2-4H3/t14?,16-,17+,18+,19?,20+/m1/s1
InChIKeyWQBKMETWRPYYJT-XLSTXECUSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (20379218)
ChEBI Ontology
Outgoing Relation(s)
Gifhornenolone B (CHEBI:217822) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(1R,2R,7R,10aR)-7-ethenyl-2-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
Manual XrefsDatabases
78438144ChemSpider