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CHEBI:230151 - Amafolone

ChEBI IDCHEBI:230151
ChEBI NameAmafolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H31NO2
Net Charge0
Average Mass305.462
Monoisotopic Mass305.23548
SMILESC[C@]12C[C@H](O)[C@@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKeyQPRBHGIRKWZUFJ-PPMYXAGCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Amafolone (CHEBI:230151) is a androstanoid (CHEBI:50402)
IUPAC Name 
(2S,3S,5S,8R,9S,10S,13S,14S)-3-amino-2-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Manual XrefsDatabases
36656ChemSpider