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CHEBI:144411 - Samandenone

ChEBI IDCHEBI:144411
ChEBI NameSamandenone
Stars
Submittermwilliams
DownloadsMolfile
FormulaC22H33NO2
Net Charge0
Average Mass343.511
Monoisotopic Mass343.25113
SMILESCC(C)[C@H]1C(=O)C=C2[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C22H33NO2/c1-12(2)20-17(24)10-16-14-6-5-13-9-19-23-11-18(25-19)22(13,4)15(14)7-8-21(16,20)3/h10,12-15,18-20,23H,5-9,11H2,1-4H3/t13-,14-,15+,18+,19+,20+,21+,22+/m1/s1
InChIKeyYVWOGPJZTKNLJO-BYXPGVIDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Samandenone (CHEBI:144411) is a steroid alkaloid (CHEBI:26767)
IUPAC Name 
(1R,2S,3S,6R,7R,11R,14R,16S)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one
Manual XrefsDatabases
C20059KEGG COMPOUND