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CHEBI:202254 - Pachydermin

ChEBI IDCHEBI:202254
ChEBI NamePachydermin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H8ClNO6
Net Charge0
Average Mass309.661
Monoisotopic Mass309.00401
SMILESO=C(O)C(=O)C1=C(O)/C(=C/c2ccc(O)c(Cl)c2)NC1=O
InChIInChI=1S/C13H8ClNO6/c14-6-3-5(1-2-8(6)16)4-7-10(17)9(12(19)15-7)11(18)13(20)21/h1-4,16-17H,(H,15,19)(H,20,21)/b7-4-
InChIKeyXYHLQFZGLAWUCL-DAXSKMNVSA-N
Species of MetaboliteComponentSourceComments
Rossbeevera pachydermis (ncbitaxon:1325520) - PubMed (16441090)
ChEBI Ontology
Outgoing Relation(s)
Pachydermin (CHEBI:202254) is a monochlorophenol (CHEBI:38857)
IUPAC Name 
2-[(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxopyrrol-3-yl]-2-oxoacetic acid
Manual XrefsDatabases
23338909ChemSpider