EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223674 - 4 S, 5S-Talactone C

ChEBI IDCHEBI:223674
ChEBI Name4 S, 5S-Talactone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESCOC1=CC(=O)O[C@H]1[C@H](C)CO
InChIInChI=1S/C8H12O4/c1-5(4-9)8-6(11-2)3-7(10)12-8/h3,5,8-9H,4H2,1-2H3/t5-,8+/m1/s1
InChIKeyWZCPWPCNJXKSRY-XRGYYRRGSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (33361780)
ChEBI Ontology
Outgoing Relation(s)
4 S, 5S-Talactone C (CHEBI:223674) is a butenolide (CHEBI:50523)
IUPAC Name 
(2S)-2-[(2R)-1-hydroxypropan-2-yl]-3-methoxy-2H-uran-5-one