EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169056 - Panaquinquecol 7

ChEBI IDCHEBI:169056
ChEBI NamePanaquinquecol 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILESCCCCCCCC1OC1CC#CC#CC(=O)CCO
InChIInChI=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
InChIKeyXEUPFPHHPCQXFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Panaquinquecol 7 (CHEBI:169056) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
8-(3-heptyloxiran-2-yl)-1-hydroxyocta-4,6-diyn-3-one
Manual XrefsDatabases
8146279ChemSpider
LMFA05000688LIPID MAPS
HMDB0041201HMDB