EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201866 - Pyranone D

ChEBI IDCHEBI:201866
ChEBI NamePyranone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOC(=O)CCC[C@@H](O)C#CC#C[C@@H]1O[C@H]1CO
InChIInChI=1S/C13H16O5/c1-17-13(16)8-4-6-10(15)5-2-3-7-11-12(9-14)18-11/h10-12,14-15H,4,6,8-9H2,1H3/t10-,11-,12-/m0/s1
InChIKeyMEGFUBLJJDARQA-SRVKXCTJSA-N
ChEBI Ontology
Outgoing Relation(s)
Pyranone D (CHEBI:201866) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (5R)-5-hydroxy-9-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]nona-6,8-diynoate
Manual XrefsDatabases
78440871ChemSpider