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CHEBI:215690 - Brabetaicicene R

ChEBI IDCHEBI:215690
ChEBI NameBrabetaicicene R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCOC[C@@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C(=O)[C@H]1O)C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H32O5/c1-11(2)17-14-8-16(22)12(3)13-6-7-21(25,10-26-5)15(13)9-20(14,4)19(24)18(17)23/h9,11-13,16,19,22,24-25H,6-8,10H2,1-5H3/t12-,13+,16+,19-,20-,21+/m1/s1
InChIKeyXZWYSCRACMMLEU-DZOQIKRRSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (30398284)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene R (CHEBI:215690) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,4S,9S,10R,11S,14R)-4,9,14-trihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-5-one