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CHEBI:187935 - Hipposterol

ChEBI IDCHEBI:187935
ChEBI NameHipposterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]([H])([C@@]1(C)CC[C@H](O)C[C@@H]1O)/C2=C\CO
InChIInChI=1S/C27H48O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h13,18-20,22-25,28-30H,6-12,14-17H2,1-5H3/b21-13-/t19-,20+,22-,23+,24+,25+,26-,27-/m1/s1
InChIKeyIQSTZRCIVTWSDM-XLPQHYNXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Hipposterol (CHEBI:187935) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3S,4R)-4-[(1R,3aR,4Z,5S,7aR)-4-(2-hydroxyethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-5-yl]-4-methylcyclohexane-1,3-diol
Manual XrefsDatabases
29214139ChemSpider
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