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CHEBI:214144 - Brabetaicicene F

ChEBI IDCHEBI:214144
ChEBI NameBrabetaicicene F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCOC[C@@]1(O)CC[C@@H]2/C1=C\[C@@H]1C(=C(C(C)C)C(=O)[C@]1(C)O)C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H32O5/c1-11(2)18-14-8-17(22)12(3)13-6-7-21(25,10-26-5)16(13)9-15(14)20(4,24)19(18)23/h9,11-13,15,17,22,24-25H,6-8,10H2,1-5H3/b16-9+/t12-,13+,15-,17+,20-,21+/m1/s1
InChIKeyXADRPXRDEQKIKB-NDGBSBFFSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - DOI (10.1016/s0031-9422(98)00732-8)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene F (CHEBI:214144) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1E,3R,4R,9S,10R,11S,14R)-4,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-5-one
Manual XrefsDatabases
78440257ChemSpider