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CHEBI:145111 - isopatulin

ChEBI IDCHEBI:145111
ChEBI Nameisopatulin
Stars
DefinitionA furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 4 an 6 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. Also known as neopatulin, it is a mycotoxic substance produced by Aspergillus and Penicillium species.
Last Modified4 December 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H6O4
Net Charge0
Average Mass154.121
Monoisotopic Mass154.02661
SMILESO=C1C=C2COC(O)C=C2O1
InChIInChI=1S/C7H6O4/c8-6-2-5-4(3-10-6)1-7(9)11-5/h1-2,6,8H,3H2
InChIKeyZGBMSNKHUHZKEP-UHFFFAOYSA-N
Roles Classification
Biological Roles:
mycotoxin  Poisonous substance produced by fungi.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
isopatulin (CHEBI:145111) has role Penicillium metabolite (CHEBI:76964)
isopatulin (CHEBI:145111) has role antibacterial agent (CHEBI:33282)
isopatulin (CHEBI:145111) has role mycotoxin (CHEBI:25442)
isopatulin (CHEBI:145111) is a furopyran (CHEBI:74927)
isopatulin (CHEBI:145111) is a lactol (CHEBI:38131)
isopatulin (CHEBI:145111) is a γ-lactone (CHEBI:37581)
IUPAC Name 
6-hydroxy-4H-furo[3,2-c]pyran-2(6H)-one
Synonyms  Source
neopatulinChEBI
3-hydroxy-4,9-dioxabicyclo[4.3.0]nona-1,6-dien-8-oneChEBI
UniProt Name  Source
neopatulinUniProt
Manual XrefsDatabases
CPD-16725MetaCyc
Registry NumbersSources
CAS:70402-10-7PubChem Compound
Citations