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CHEBI:176403 - (-)-Cladielline

ChEBI IDCHEBI:176403
ChEBI Name(-)-Cladielline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12C(=C)CC[C@H](C(C)C)[C@@]1([H])[C@@]1([H])O[C@]2([H])C/C(C)=C\CCC1(C)O
InChIInChI=1S/C20H32O2/c1-12(2)15-9-8-14(4)17-16-11-13(3)7-6-10-20(5,21)19(22-16)18(15)17/h7,12,15-19,21H,4,6,8-11H2,1-3,5H3/b13-7-/t15-,16-,17-,18-,19-,20?/m1/s1
InChIKeyJRIWYQNERQUJOM-NKDZYFAXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
(-)-Cladielline (CHEBI:176403) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,6R,7R,8R,12Z)-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-ol
Manual XrefsDatabases
24846794ChemSpider