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CHEBI:184991 - 1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol

ChEBI IDCHEBI:184991
ChEBI Name1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILES[H][C@@]12C(C)=C3CC[C@@H](C)CCCC(=C)[C@]1([H])C[C@@H](O)[C@]2(CO)[C@@H](O)C3
InChIInChI=1S/C20H32O3/c1-12-5-4-6-13(2)16-10-18(23)20(11-21)17(22)9-15(8-7-12)14(3)19(16)20/h12,16-19,21-23H,2,4-11H2,1,3H3/t12-,16-,17-,18+,19+,20-/m0/s1
InChIKeyCQBMUHFERZKRSJ-JHBMXPPKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol (CHEBI:184991) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,6S,11S,12S,13R,15S)-12-(hydroxymethyl)-6,16-dimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-ene-11,13-diol
Manual XrefsDatabases
8059236ChemSpider