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CHEBI:140649 - paerucumarin

ChEBI IDCHEBI:140649
ChEBI Namepaerucumarin
Stars
DefinitionA hydroxycoumarin that is coumarin substituted by an isocyano group at position 3 and hydroxy groups at positions 6 and 7.
Last Modified22 July 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H5NO4
Net Charge0
Average Mass203.153
Monoisotopic Mass203.02186
SMILES[C-]#[N+]c1cc2cc(O)c(O)cc2oc1=O
InChIInChI=1S/C10H5NO4/c1-11-6-2-5-3-7(12)8(13)4-9(5)15-10(6)14/h2-4,12-13H
InChIKeyPBXVYKHISUQHKY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287) - PubMed (18689486)
Roles Classification
Chemical Role:
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
paerucumarin (CHEBI:140649) has role bacterial metabolite (CHEBI:76969)
paerucumarin (CHEBI:140649) has role iron chelator (CHEBI:38157)
paerucumarin (CHEBI:140649) is a hydroxycoumarin (CHEBI:37912)
paerucumarin (CHEBI:140649) is a isocyanide (CHEBI:35353)
IUPAC Name 
6,7-dihydroxy-3-isocyano-2H-chromen-2-one
Synonyms  Source
6,7-dihydroxy-3-isocyanochromen-2-oneMetaCyc
6,7-dihydroxy-3-isocyano-2H-1-benzopyran-2-oneIUPAC
Manual XrefsDatabases
CPD-20762MetaCyc
Registry NumbersSources
CAS:957062-50-9ChEBI
Citations