Panaquinquecol 7 (CHEBI:169056)

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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	Panaquinquecol 7

ChEBI ID	CHEBI:169056

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H24O3

Net Charge

Average Mass

276.376

Monoisotopic Mass

276.17254

InChI

InChI=1S/C17H24O3/c1-2-3-4-5-8-11-16-17(20-16)12-9-6-7-10-15(19)13-14-18/h16-18H,2-5,8,11-14H2,1H3

InChIKey

XEUPFPHHPCQXFV-UHFFFAOYSA-N

SMILES

O1C(C1CC#CC#CC(=O)CCO)CCCCCCC

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	Panaquinquecol 7 (CHEBI:169056) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

8-(3-heptyloxiran-2-yl)-1-hydroxyocta-4,6-diyn-3-one