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CHEBI:64977 - cichorine

ChEBI IDCHEBI:64977
ChEBI Namecichorine
Stars
DefinitionA member of the class of isoindoles that is 6-hydroxy-4-methoxy-5-methyl-2,3-dihydro-1H-isoindol-1-one which is substituted at position 4, 5, and 6 by methoxy, methyl, and hydroxy groups, respectively. A secondary metabolite found in Aspergillus silvativus, Aspergillus nidulans and Alternaria cichorii, it is poisonous to Russian knapweed (Acroptilon repens).
Secondary ChEBI IDCHEBI:3694
Last Modified28 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC10H11NO3
Net Charge0
Average Mass193.202
Monoisotopic Mass193.07389
SMILESCOc1c(C)c(O)cc2c1CNC2=O
InChIInChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)
InChIKeyICZVDXDXJQCDOJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
cichorine (CHEBI:64977) has role mycotoxin (CHEBI:25442)
cichorine (CHEBI:64977) is a isoindoles (CHEBI:24897)
cichorine (CHEBI:64977) is a phenols (CHEBI:33853)
IUPAC Name 
6-hydroxy-4-methoxy-5-methyl-2,3-dihydro-1H-isoindol-1-one
Synonym  Source
CichorineKEGG COMPOUND
Manual XrefsDatabases
C10581KEGG COMPOUND
C00002325KNApSAcK
Registry NumbersSources
Reaxys:5521375Reaxys
CAS:114090-43-6KEGG COMPOUND
Citations