EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211114 - Pregaliellactone D

ChEBI IDCHEBI:211114
ChEBI NamePregaliellactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O3
Net Charge0
Average Mass170.208
Monoisotopic Mass170.09429
SMILESCCCC1=C[C@H](CCO)OC1=O
InChIInChI=1S/C9H14O3/c1-2-3-7-6-8(4-5-10)12-9(7)11/h6,8,10H,2-5H2,1H3/t8-/m0/s1
InChIKeyDSNQYUGROAYCIH-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
Pregaliellactone D (CHEBI:211114) is a butenolide (CHEBI:50523)
IUPAC Name 
(2S)-2-(2-hydroxyethyl)-4-propyl-2H-uran-5-one
Manual XrefsDatabases
78442353ChemSpider