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CHEBI:70291 - chloromonilicin

ChEBI IDCHEBI:70291
ChEBI Namechloromonilicin
Stars
DefinitionAn organic heterotricyclic compound that is 5-chloro-10-hydroxy-8-methyl-1H-oxepino[4,3-b]chromene-3,11-dione which is substituted at positions 1, 5, 8, and 10 by methoxycarbonyl, chlorine, methyl, and hydroxy groups, respectively (the 1S enantiomer). Found in Monilia fructicola and in the mycoherbicide Alternaria sonchi.
Last Modified13 November 2017
DownloadsMolfile
FormulaC16H11ClO7
Net Charge0
Average Mass350.710
Monoisotopic Mass350.01933
SMILESCOC(=O)[C@H]1OC(=O)C=C(Cl)c2oc3cc(C)cc(O)c3c(=O)c21
InChIInChI=1S/C16H11ClO7/c1-6-3-8(18)11-9(4-6)23-14-7(17)5-10(19)24-15(16(21)22-2)12(14)13(11)20/h3-5,15,18H,1-2H3/t15-/m0/s1
InChIKeyXEADRORPHLTLNQ-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Monilia fructicola (fungorum:360531) - PubMed (21082806)
Alternaria sonchi (ncbitaxon:283360) - PubMed (26174176) Strain: S-102
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
chloromonilicin (CHEBI:70291) has role fungal metabolite (CHEBI:76946)
chloromonilicin (CHEBI:70291) has role plant metabolite (CHEBI:76924)
chloromonilicin (CHEBI:70291) is a methyl ester (CHEBI:25248)
chloromonilicin (CHEBI:70291) is a organic heterotricyclic compound (CHEBI:26979)
chloromonilicin (CHEBI:70291) is a organochlorine compound (CHEBI:36683)
chloromonilicin (CHEBI:70291) is a ε-lactone (CHEBI:50239)
IUPAC Name 
methyl (1S)-5-chloro-10-hydroxy-8-methyl-3,11-dioxo-3,11-dihydro-1H-oxepino[4,3-b]chromene-1-carboxylate
Synonyms  Source
(+)-chloromonilicinChEBI
chloromonilicin, (+)-ChEBI
(S)-chloromonilicinChEBI
(1S)-chloromonilicinChEBI
Manual XrefsDatabases
C00018634KNApSAcK
Registry NumbersSources
CAS:96287-38-6ChemIDplus
Citations