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CHEBI:215871 - Brabetaicicene B

ChEBI IDCHEBI:215871
ChEBI NameBrabetaicicene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILESCOC[C@@]1(O)CC[C@@H]2/C1=C\[C@]1(C)C(=C(C(C)C)C[C@@H]1O)C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H34O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18-19,22-24H,6-9,11H2,1-5H3/b17-10+/t13-,14+,18+,19+,20-,21+/m1/s1
InChIKeyLJCHDOYLNWEGEZ-DFDBWPMISA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - DOI (10.1016/s0031-9422(98)00732-8)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene B (CHEBI:215871) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1E,3R,4S,9S,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-diene-4,9,14-triol
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78440495ChemSpider