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CHEBI:193437 - Isotrinerviol

ChEBI IDCHEBI:193437
ChEBI NameIsotrinerviol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O
Net Charge0
Average Mass288.475
Monoisotopic Mass288.24532
SMILES[H][C@@]12C(C)=C3CC[C@@H](C)CC/C=C(/C)[C@]1([H])CC[C@]2(C)C[C@@H]3O
InChIInChI=1S/C20H32O/c1-13-6-5-7-14(2)16-10-11-20(4)12-18(21)17(9-8-13)15(3)19(16)20/h7,13,16,18-19,21H,5-6,8-12H2,1-4H3/b14-7-/t13-,16-,18-,19+,20+/m0/s1
InChIKeyPJNOSQMCFHDMLC-MOEFAXRESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Isotrinerviol (CHEBI:193437) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2Z,6S,10S,12R,15R)-2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-10-ol
Manual XrefsDatabases
113385742ChemSpider