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CHEBI:215684 - Brabetaicicene Q

ChEBI IDCHEBI:215684
ChEBI NameBrabetaicicene Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O2
Net Charge0
Average Mass288.431
Monoisotopic Mass288.20893
SMILESCC(C)C1=C2C[C@H](O)[C@H](C)C3=C(C[C@@]2(C)CC1)C(=O)CC3
InChIInChI=1S/C19H28O2/c1-11(2)13-7-8-19(4)10-15-14(5-6-17(15)20)12(3)18(21)9-16(13)19/h11-12,18,21H,5-10H2,1-4H3/t12-,18+,19-/m1/s1
InChIKeyPUDNKRBMGDYECE-ZUSMLRIVSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (30398284)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene Q (CHEBI:215684) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,8R,9S)-9-hydroxy-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-3(7),11-dien-4-one