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CHEBI:69973 - 15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid

ChEBI IDCHEBI:69973
ChEBI Name15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILES[H][C@@]12CCC(=C)[C@H](/C=C/C(C)=O)[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C18H26O3/c1-12-6-9-15-17(3,14(12)8-7-13(2)19)10-5-11-18(15,4)16(20)21/h7-8,14-15H,1,5-6,9-11H2,2-4H3,(H,20,21)/b8-7+/t14-,15+,17+,18-/m0/s1
InChIKeyBQLIBSZGTNAGNT-OQOGXPRXSA-N
Species of MetaboliteComponentSourceComments
Metasequoia glyptostroboides (ncbitaxon:3371)
leaf (BTO:0000713) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
stem (BTO:0001300) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid (CHEBI:69973) has role metabolite (CHEBI:25212)
15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid (CHEBI:69973) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
(1S,4aS,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-oxobut-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acidChEBI
Citations