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CHEBI:79125 - 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid

ChEBI IDCHEBI:79125
ChEBI Name2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid
Stars
DefinitionA member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively.
Secondary ChEBI IDCHEBI:79295
Last Modified21 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESCOc1cc(C)c2ccc(O)c(C(=O)O)c2c1
InChIInChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyLYGUXQMPYLCEGL-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-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) has role bacterial metabolite (CHEBI:76969)
2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) is a methoxynaphthalene (CHEBI:48851)
2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) is a naphthoic acid (CHEBI:25483)
2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) is a naphthols (CHEBI:25392)
Incoming Relation(s)
2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293) has functional parent 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125)
IUPAC Name 
2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid
Synonym  Source
2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acidChEBI
Manual XrefsDatabases
CPD-16519MetaCyc
Registry NumbersSources
Reaxys:4439261Reaxys
Citations