1,3,11-Tridecatriene-5,7,9-triyne (CHEBI:168838)

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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	1,3,11-Tridecatriene-5,7,9-triyne

ChEBI ID	CHEBI:168838

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H10

Net Charge

Average Mass

166.223

Monoisotopic Mass

166.07825

InChI

InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3

InChIKey

KAGUESUDHDXNCN-UHFFFAOYSA-N

SMILES

CC=CC#CC#CC#CC=CC=C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	1,3,11-Tridecatriene-5,7,9-triyne (CHEBI:168838) is a enyne (CHEBI:59831)

IUPAC Name

trideca-1,3,11-trien-5,7,9-triyne

Registry Number	Type	Source
18668-89-8	CAS Registry Number	ChemIDplus