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

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ChEBI Name	15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid

ChEBI ID	CHEBI:69973

Definition	A natural product found in Metasequoia glyptostroboides.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C18H26O3

Net Charge

Average Mass

290.39720

Monoisotopic Mass

290.18819

InChI

InChI=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

InChIKey

BQLIBSZGTNAGNT-OQOGXPRXSA-N

SMILES

[H][C@@]12CCC(=C)[C@H](\C=C\C(C)=O)[C@@]1(C)CCC[C@]2(C)C(O)=O

Metabolite of Species	Details
Metasequoia glyptostroboides (NCBI:txid3371)	Found in stem (BTO:0001300). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed
Metasequoia glyptostroboides (NCBI:txid3371)	Found in leaf (BTO:0000713). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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 acid	ChEBI

Citation	Type	Source
21226514	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:ketone(CHEBI:17087); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);