EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181691 - (5e)-10-Heptyl-3,4,5,8,9,10-hexahydro-5,8,9-trihydroxy-2h-oxecin-2-one

ChEBI IDCHEBI:181691
ChEBI Name(5e)-10-Heptyl-3,4,5,8,9,10-hexahydro-5,8,9-trihydroxy-2h-oxecin-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O5
Net Charge0
Average Mass300.395
Monoisotopic Mass300.19367
SMILESCCCCCCCC1OC(=O)CCC(O)/C=C/C(O)C1O
InChIInChI=1S/C16H28O5/c1-2-3-4-5-6-7-14-16(20)13(18)10-8-12(17)9-11-15(19)21-14/h8,10,12-14,16-18,20H,2-7,9,11H2,1H3/b10-8+
InChIKeyNGMQJZCKXKTQID-CSKARUKUSA-N
ChEBI Ontology
Outgoing Relation(s)
(5e)-10-Heptyl-3,4,5,8,9,10-hexahydro-5,8,9-trihydroxy-2h-oxecin-2-one (CHEBI:181691) is a oxacycle (CHEBI:38104)
IUPAC Name 
(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
Manual XrefsDatabases
22943208ChemSpider