EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186678 - (-)-2,7-Dolabelladiene-6beta,10alpha,18-triol

ChEBI IDCHEBI:186678
ChEBI Name(-)-2,7-Dolabelladiene-6beta,10alpha,18-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILES[H][C@@]12[C@@H](O)C/C(C)=C/[C@H](O)C[C@@H](C)/C=C/[C@@]1(C)CC[C@@]2([H])C(C)(C)O
InChIInChI=1S/C20H34O3/c1-13-6-8-20(5)9-7-16(19(3,4)23)18(20)17(22)12-14(2)11-15(21)10-13/h6,8,11,13,15-18,21-23H,7,9-10,12H2,1-5H3/b8-6+,14-11+/t13-,15+,16+,17-,18+,20-/m0/s1
InChIKeyQWIUMSWXLCXCSM-ZGTRSVAZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(-)-2,7-Dolabelladiene-6beta,10alpha,18-triol (CHEBI:186678) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,3aR,4E,6R,8R,9E,12S,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene-8,12-diol
Manual XrefsDatabases
24846799ChemSpider