EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216576 - Aspertamarinolide C

ChEBI IDCHEBI:216576
ChEBI NameAspertamarinolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESC=C(C(=O)OC)[C@H]1C[C@H](CCCC)OC1=O
InChIInChI=1S/C12H18O4/c1-4-5-6-9-7-10(12(14)16-9)8(2)11(13)15-3/h9-10H,2,4-7H2,1,3H3/t9-,10+/m0/s1
InChIKeyGKFCDDUGEXFUCY-VHSXEESVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2020.152529)
ChEBI Ontology
Outgoing Relation(s)
Aspertamarinolide C (CHEBI:216576) is a γ-lactone (CHEBI:37581)
IUPAC Name 
methyl 2-[(3R,5S)-5-butyl-2-oxooxolan-3-yl]prop-2-enoate