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CHEBI:218300 - Cremenolide

Default Structure
ChEBI IDCHEBI:218300
ChEBI NameCremenolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESC/C=C/C(=O)OC1/C=C\C(C)OC(=O)CCC(OC(C)=O)C1O
InChIInChI=1S/C16H22O7/c1-4-5-14(18)23-13-7-6-10(2)21-15(19)9-8-12(16(13)20)22-11(3)17/h4-7,10,12-13,16,20H,8-9H2,1-3H3/b5-4+,7-6-
InChIKeyMAWJKQOOBBFFLI-DEQVHDEQSA-N
Species of MetaboliteComponentSourceComments
Trichoderma cremeum (ncbitaxon:1086371) - PubMed (26728227)
ChEBI Ontology
Outgoing Relation(s)
Cremenolide (CHEBI:218300) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(3Z)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,5,6,7,8,9-hexahydrooxecin-5-yl] (E)-but-2-enoate
Manual XrefsDatabases
78444194ChemSpider