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CHEBI:187311 - Isotrinervidiol

ChEBI IDCHEBI:187311
ChEBI NameIsotrinervidiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@@]12C(C)=C3CC[C@@H](C)CC/C=C(/C)[C@]1([H])CC[C@]2(C)[C@@H](O)[C@@H]3O
InChIInChI=1S/C20H32O2/c1-12-6-5-7-13(2)15-10-11-20(4)17(15)14(3)16(9-8-12)18(21)19(20)22/h7,12,15,17-19,21-22H,5-6,8-11H2,1-4H3/b13-7-/t12-,15-,17+,18+,19-,20-/m0/s1
InChIKeyFXMHPHRSFCOEHI-ZLBDFBLOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isotrinervidiol (CHEBI:187311) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2Z,6S,10R,11R,12S,15S)-2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene-10,11-diol
Manual XrefsDatabases
9954507ChemSpider