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CHEBI:226661 - 3-ketobrabetaicicene W

ChEBI IDCHEBI:226661
ChEBI Name3-ketobrabetaicicene W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILESCC(C)C1=C2C[C@H](O)[C@H](C)[C@@H]3CCC(=O)/C3=C/[C@@]2(C)[C@@H](O)C1
InChIInChI=1S/C19H28O3/c1-10(2)13-7-18(22)19(4)9-14-12(5-6-16(14)20)11(3)17(21)8-15(13)19/h9-12,17-18,21-22H,5-8H2,1-4H3/b14-9+/t11-,12+,17+,18+,19-/m1/s1
InChIKeyREIQWPKGKQCJQP-GYZZMXINSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (32520548)
ChEBI Ontology
Outgoing Relation(s)
3-ketobrabetaicicene W (CHEBI:226661) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,2E,7S,8R,9S,14S)-9,14-dihydroxy-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-dien-4-one