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CHEBI:217429 - Lecanicillolide

ChEBI IDCHEBI:217429
ChEBI NameLecanicillolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCC[C@@]1(C)C(=O)C[C@H](c2c(O)c(C)c(C)oc2=O)c2c1oc(C)c(C)c2=O
InChIInChI=1S/C21H24O6/c1-7-21(6)14(22)8-13(15-17(23)9(2)11(4)26-19(15)21)16-18(24)10(3)12(5)27-20(16)25/h13,24H,7-8H2,1-6H3/t13-,21-/m0/s1
InChIKeyIQOQYVAMVLWEDE-ZSEKCTLFSA-N
Species of MetaboliteComponentSourceComments
Lecanicillium (ncbitaxon:291363) - DOI (10.1016/j.tetlet.2017.01.023)
ChEBI Ontology
Outgoing Relation(s)
Lecanicillolide (CHEBI:217429) is a pyranone (CHEBI:37963)
IUPAC Name 
(5S,8R)-8-ethyl-5-(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione
Manual XrefsDatabases
58826987ChemSpider