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3-methoxy-5-methyl-1-naphthoate

PropertiesImage
MNX_IDMNXM146352 Image of MNXM146352
referencechebi:78620
formulaC13H11O3
global charge-1
mol weight215.228
InChIKeyLBYWDHUJYQYMJV-UHFFFAOYSA-M
InChIInChI=1S/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15)/p-1
SMILESCOC1=CC2=C(C)C=CC=C2C(C(=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15) Image of MNXM146352
SMILES (mnx)[CH3:1][C:8]1=[C:11]2[CH:6]=[C:9]([O:16][CH3:2])[CH:7]=[C:12]([C:13](=[O:14])[OH:15])[C:10]2=[CH:5][CH:3]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78620
chebi:78620
LBYWDHUJYQYMJV-UHFFFAOYSA-M
3-methoxy-5-methyl-1-naphthoate

kegg.compound:C20980
keggC:C20980
LBYWDHUJYQYMJV-UHFFFAOYSA-N
3-Methoxy-5-methyl-1-naphthoate

metacyc.compound:CPD-16516
metacycM:CPD-16516
seed.compound:cpd34628
seedM:cpd34628
LBYWDHUJYQYMJV-UHFFFAOYSA-M
3-methoxy-5-methyl-1-naphthoate
3-methoxy-5-methyl-1-naphthoic acid

CHEBI:82681
chebi:82681
LBYWDHUJYQYMJV-UHFFFAOYSA-N
3-methoxy-5-methyl-1-naphthoic acid

keggC:M_C20980
seedM:M_cpd34628
secondary/obsolete/fantasy identifier