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4-methylsalicylic acid

MNXM6112 is deprecated and here replaced by MNXM734540
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734540 Image of MNXM734540
referencechebi:20450
formulaC8H8O3
global charge0
mol weight152.149
InChIKeyNJESAXZANHETJV-UHFFFAOYSA-N
InChIInChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
SMILESCC1=CC(O)=C(C(=O)O)C=C1
MNX internals
InChI (mnx)InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11) Image of MNXM734540
SMILES (mnx)[CH3:1][C:5]1=[CH:4][C:7]([OH:9])=[C:6]([C:8](=[O:10])[OH:11])[CH:3]=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20450
chebi:20450
NJESAXZANHETJV-UHFFFAOYSA-N 		4-methylsalicylic acid
2,4-Cresotic acid
2-Hydroxy-4-methylbenzoic acid
2-Hydroxy-p-toluic acid
4-Methyl-2-hydroxybenzoic acid
gamma-Cresotic acid
gamma-cresotic acid
m-Cresotic acid
m-Cresotinic acid
m-Homosalicylic acid

seed.compound:cpd25439
seedM:cpd25439
NJESAXZANHETJV-UHFFFAOYSA-M 		2,4-dihydroxybenzoate
2-hydroxy-4-methylbenzoate
2-hydroxy-p-toluate
gamma-cresotate
m-cresotate

envipath:...6c85b7583d1f
envipathM:...6c85b7583d1f
NJESAXZANHETJV-UHFFFAOYSA-M 		4-Methylsalicylate

kegg.compound:C14103
keggC:C14103
NJESAXZANHETJV-UHFFFAOYSA-N 		4-Methylsalicylate
2-Hydroxy-4-methylbenzoic acid
m-Cresotic acid

CHEBI:231636
chebi:231636
NJESAXZANHETJV-UHFFFAOYSA-M 		4-methylsalicylate
2-hydroxy-4-methylbenzoate

metacyc.compound:CPD-8815
metacycM:CPD-8815
NJESAXZANHETJV-UHFFFAOYSA-M 		4-methylsalicylate
2-hydroxy-4-methylbenzoate
2-hydroxy-p-toluate
gamma-cresotate
m-cresotate

vmhM:mcrea
vmhmetabolite:mcrea
NJESAXZANHETJV-UHFFFAOYSA-N 		m-Cresotic acid

seed.compound:cpd09806
seedM:cpd09806
NJESAXZANHETJV-UHFFFAOYSA-M 		m-Cresotic acid
2-Hydroxy-4-methylbenzoic acid
4-Methylsalicylate
4-methylsalicylate

keggC:M_C14103
seedM:M_cpd09806
seedM:M_cpd25439
vmhM:M_mcrea 		secondary/obsolete/fantasy identifier