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CHEBI:187791 - Conicasterol B

ChEBI IDCHEBI:187791
ChEBI NameConicasterol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O
Net Charge0
Average Mass408.670
Monoisotopic Mass408.33922
SMILES[H][C@@]12CC=C3C4=CC[C@]([H])([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC=C3[C@@]1(C)CC[C@H](O)C2=C
InChIInChI=1S/C29H44O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,13-14,18-20,23-24,27,30H,5,8-9,11-12,15-17H2,1-4,6-7H3/t19-,20-,23-,24+,27+,28-,29+/m1/s1
InChIKeyROFASVKEULJYHH-CIKAEWNBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Conicasterol B (CHEBI:187791) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-3-ol
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