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CHEBI:187921 - Conicasterol D

ChEBI IDCHEBI:187921
ChEBI NameConicasterol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILES[H][C@@]12CCC3=C4[C@H](O)C[C@]([H])([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3(O)[C@@]1(C)CC[C@H](O)C2=C
InChIInChI=1S/C29H48O3/c1-17(2)18(3)8-9-19(4)23-16-25(31)26-22-11-10-21-20(5)24(30)12-13-28(21,7)29(22,32)15-14-27(23,26)6/h17-19,21,23-25,30-32H,5,8-16H2,1-4,6-7H3/t18-,19-,21+,23-,24+,25-,27-,28+,29-/m1/s1
InChIKeyCKFFPLRELSUIHH-XAHNCEBCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Conicasterol D (CHEBI:187921) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,9S,10S,13R,15R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,9,15-triol
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