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CHEBI:31107 - 3-amino-4,7-dihydroxycoumarin

ChEBI IDCHEBI:31107
ChEBI Name3-amino-4,7-dihydroxycoumarin
Stars
DefinitionA hydroxycoumarin that is 4,7-dihydroxycoumarin bearing an additional amino substituent at positions 3.
Last Modified18 June 2013
DownloadsMolfile
FormulaC9H7NO4
Net Charge0
Average Mass193.158
Monoisotopic Mass193.03751
SMILESNc1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C9H7NO4/c10-7-8(12)5-2-1-4(11)3-6(5)14-9(7)13/h1-3,11-12H,10H2
InChIKeyQVNNPTBCHMRANE-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-amino-4,7-dihydroxycoumarin (CHEBI:31107) has role metabolite (CHEBI:25212)
3-amino-4,7-dihydroxycoumarin (CHEBI:31107) is a hydroxycoumarin (CHEBI:37912)
3-amino-4,7-dihydroxycoumarin (CHEBI:31107) is conjugate acid of 3-amino-4,7-dihydroxycoumarin(1−) (CHEBI:74156)
Incoming Relation(s)
cacibiocin A (CHEBI:156551) has functional parent 3-amino-4,7-dihydroxycoumarin (CHEBI:31107)
3-amino-4,7-dihydroxycoumarin(1−) (CHEBI:74156) is conjugate base of 3-amino-4,7-dihydroxycoumarin (CHEBI:31107)
Synonym  Source
3-Amino-4,7-dihydroxycoumarinKEGG COMPOUND
Manual XrefsDatabases
C12468KEGG COMPOUND
Registry NumbersSources
Reaxys:1075671Reaxys
Citations