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CHEBI:230703 - conicasterol c

Default Structure
ChEBI IDCHEBI:230703
ChEBI Nameconicasterol c
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILESC=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@]12OC
InChIInChI=1S/C30H50O3/c1-18(2)19(3)9-10-20(4)24-17-26(32)27-23-12-11-22-21(5)25(31)13-14-29(22,7)30(23,33-8)16-15-28(24,27)6/h18-20,22,24-26,31-32H,5,9-17H2,1-4,6-8H3/t19-,20-,22+,24-,25+,26-,28-,29+,30-/m1/s1
InChIKeyODENWPGENWWGAD-NOTXGSIUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
conicasterol c (CHEBI:230703) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(3S,5S,9S,10S,13R,15R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-9-methoxy-10,13-dimethyl-4-methylidene-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
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27025469ChemSpider
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