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CHEBI:204389 - Brabetaicicene H

ChEBI IDCHEBI:204389
ChEBI NameBrabetaicicene H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILESCOC[C@@]1(O)CC[C@@H]2/C1=C\[C@@H]1C(=C(C(C)C)[C@H](O)[C@H]1C)C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H34O4/c1-11(2)19-16-9-18(22)12(3)14-6-7-21(24,10-25-5)17(14)8-15(16)13(4)20(19)23/h8,11-15,18,20,22-24H,6-7,9-10H2,1-5H3/b17-8+/t12-,13+,14+,15+,18+,20-,21+/m1/s1
InChIKeyIGUFYHFJOVSYRH-ZXEXXKJGSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (19223049)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene H (CHEBI:204389) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2E,4R,7S,8R,9S,13R,14S)-4-(methoxymethyl)-8,14-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9,13-triol
Manual XrefsDatabases
78440186ChemSpider