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CHEBI:215715 - Brabetaicicene W

ChEBI IDCHEBI:215715
ChEBI NameBrabetaicicene W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O4
Net Charge0
Average Mass364.526
Monoisotopic Mass364.26136
SMILESCOC[C@@]1(OC)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/C22H36O4/c1-13(2)16-9-20(24)21(4)11-18-15(14(3)19(23)10-17(16)21)7-8-22(18,26-6)12-25-5/h11,13-15,19-20,23-24H,7-10,12H2,1-6H3/t14-,15+,19+,20+,21-,22+/m1/s1
InChIKeyHWCZSAJXKSHKFY-PGVONUBFSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (30398284)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene W (CHEBI:215715) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,4S,9S,10R,11S,14R)-14-methoxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-diene-4,9-diol