EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215709 - Brabetaicicene V

ChEBI IDCHEBI:215709
ChEBI NameBrabetaicicene V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILESCOC[C@@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@H]1O)C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H34O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18-19,22-24H,6-9,11H2,1-5H3/t13-,14+,18+,19-,20-,21+/m1/s1
InChIKeyLJCHDOYLNWEGEZ-RHCSBPBQSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (30398284)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene V (CHEBI:215709) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,4R,9S,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-diene-4,9,14-triol