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CHEBI:79122 - 2,7-dihydroxy-5-methyl-1-naphthoic acid

Default Structure
ChEBI IDCHEBI:79122
ChEBI Name2,7-dihydroxy-5-methyl-1-naphthoic acid
Stars
DefinitionA member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group.
Last Modified10 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H10O4
Net Charge0
Average Mass218.208
Monoisotopic Mass218.05791
SMILESCc1cc(O)cc2c(C(=O)O)c(O)ccc12
InChIInChI=1S/C12H10O4/c1-6-4-7(13)5-9-8(6)2-3-10(14)11(9)12(15)16/h2-5,13-14H,1H3,(H,15,16)
InChIKeyBLBGRTHACSTGEL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122) has role bacterial metabolite (CHEBI:76969)
2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122) is a naphthalenediols (CHEBI:23783)
2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122) is a naphthoic acid (CHEBI:25483)
2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122) is conjugate acid of 2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281)
Incoming Relation(s)
2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) is conjugate base of 2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122)
IUPAC Name 
2,7-dihydroxy-5-methyl-1-naphthoic acid
Manual XrefsDatabases
CPD-16518MetaCyc
Citations