EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217010 - Aspilactonol A

ChEBI IDCHEBI:217010
ChEBI NameAspilactonol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O3
Net Charge0
Average Mass170.208
Monoisotopic Mass170.09429
SMILESC[C@H](O)CCC1=C[C@H](C)OC1=O
InChIInChI=1S/C9H14O3/c1-6(10)3-4-8-5-7(2)12-9(8)11/h5-7,10H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyMOBABDZHHJLIFI-BQBZGAKWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24871461)
ChEBI Ontology
Outgoing Relation(s)
Aspilactonol A (CHEBI:217010) is a butenolide (CHEBI:50523)
IUPAC Name 
(2S)-4-[(3S)-3-hydroxybutyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
32675098ChemSpider