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CHEBI:176937 - 5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate

Default Structure
ChEBI IDCHEBI:176937
ChEBI Name5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12N2O7
Net Charge0
Average Mass344.279
Monoisotopic Mass344.06445
SMILESCc1c(C(=O)O)cnc1C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C16H12N2O7/c1-6-9(15(22)23)5-17-11(6)14(21)18-12-13(20)8-3-2-7(19)4-10(8)25-16(12)24/h2-5,17,19-20H,1H3,(H,18,21)(H,22,23)
InChIKeyAPLLJBJPUGBNAO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate (CHEBI:176937) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
5-[(4,7-dihydroxy-2-oxochromen-3-yl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid
Manual XrefsDatabases
30790748ChemSpider
C20637KEGG COMPOUND