EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223847 - (1S*,3R*,4R*,6S*,11S*)-3,4-epoxy-6-hydroxydolabella-7E,12-dien-14-one

ChEBI IDCHEBI:223847
ChEBI Name(1S*,3R*,4R*,6S*,11S*)-3,4-epoxy-6-hydroxydolabella-7E,12-dien-14-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC/C1=C\[C@H](O)C[C@]2(C)O[C@@H]2C[C@@]2(C)C(=O)C=C(C(C)C)[C@@H]2CC1
InChIInChI=1S/C20H30O3/c1-12(2)15-9-17(22)19(4)11-18-20(5,23-18)10-14(21)8-13(3)6-7-16(15)19/h8-9,12,14,16,18,21H,6-7,10-11H2,1-5H3/b13-8+/t14-,16-,18+,19+,20-/m0/s1
InChIKeyZKFQUXJPKUAAGK-SDANMLTHSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/s0031-9422(00)00231-4)
ChEBI Ontology
Outgoing Relation(s)
(1S*,3R*,4R*,6S*,11S*)-3,4-epoxy-6-hydroxydolabella-7E,12-dien-14-one (CHEBI:223847) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,3R,5S,7R,8E,12S)-7-hydroxy-1,5,9-trimethyl-13-propan-2-yl-4-oxatricyclo[10.3.0.03,5]pentadeca-8,13-dien-15-one
Manual XrefsDatabases
78440301ChemSpider