EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215345 - Donacinol A

ChEBI IDCHEBI:215345
ChEBI NameDonacinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC=C1CC[C@H](C(C)C)[C@H]2C=C(CO)CC[C@@]12O
InChIInChI=1S/C15H24O2/c1-10(2)13-5-4-11(3)15(17)7-6-12(9-16)8-14(13)15/h8,10,13-14,16-17H,3-7,9H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyBSBQRGUFKPLISF-RBSFLKMASA-N
Species of MetaboliteComponentSourceComments
Montagnula donacina (ncbitaxon:1543151) - PubMed (29287257)
ChEBI Ontology
Outgoing Relation(s)
Donacinol A (CHEBI:215345) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4aS,8aS)-7-(hydroxymethyl)-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol
Manual XrefsDatabases
78442382ChemSpider