CHEBI:215709 - Brabetaicicene V

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Brabetaicicene V
ChEBI ID CHEBI:215709
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O4
Net Charge 0
Average Mass 350.499
Monoisotopic Mass 350.24571
InChI InChI=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/t13-,14+,18+,19-,20-,21+/m1/s1
InChIKey LJCHDOYLNWEGEZ-RHCSBPBQSA-N
SMILES O(C[C@]1(O)C2=C[C@@]3(C(=C(C(C)C)C[C@H]3O)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C)C
Metabolite of Species Details
Alternaria brassicicola (NCBI:txid29001) See: PubMed
ChEBI Ontology
Outgoing Brabetaicicene V (CHEBI:215709) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3R,4R,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