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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-2,7-Dolabelladiene-6beta,10alpha,18-triol
ChEBI ID CHEBI:186678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O3
Net Charge 0
Average Mass 322.489
Monoisotopic Mass 322.25079
InChI InChI=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
InChIKey QWIUMSWXLCXCSM-ZGTRSVAZSA-N
SMILES OC([C@]1([C@]2([C@@](CC1)(C)C=C[C@@H](C[C@@H](O)C=C(C[C@@H]2O)C)C)[H])[H])(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-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 Xref Database
24846799 ChemSpider
View more database links