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CHEBI:209501 - Brabetaicicene C

ChEBI IDCHEBI:209501
ChEBI NameBrabetaicicene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCOC[C@@]1(O)CC[C@@H]2/C1=C\[C@@H]1C(=C(C(C)C)C(=O)[C@H]1C)C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H32O4/c1-11(2)19-16-9-18(22)12(3)14-6-7-21(24,10-25-5)17(14)8-15(16)13(4)20(19)23/h8,11-15,18,22,24H,6-7,9-10H2,1-5H3/b17-8+/t12-,13+,14+,15+,18+,21+/m1/s1
InChIKeyJYZGDIADQSQUAG-DKLZGWCZSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - DOI (10.1016/s0031-9422(98)00732-8)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene C (CHEBI:209501) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1E,3S,4S,9S,10R,11S,14R)-9,14-dihydroxy-14-(methoxymethyl)-4,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-5-one
Manual XrefsDatabases
78440351ChemSpider