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o-methylhippuric acid

PropertiesImage
MNX_IDMNXM35291 Image of MNXM35291
referencechebi:68455
formulaC10H11NO3
global charge0
mol weight193.202
InChIKeyYOEBAVRJHRCKRE-UHFFFAOYSA-N
InChIInChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
SMILESCC1=C(C(=O)NCC(=O)O)C=CC=C1
MNX internals
InChI (mnx)InChI=1/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) Image of MNXM35291
SMILES (mnx)[CH3:1][C:7]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:8]1[C:10](=[N:11][CH2:6][C:9](=[O:12])[OH:13])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68455
chebi:68455
YOEBAVRJHRCKRE-UHFFFAOYSA-N 		o-methylhippuric acid
2-methylhippuric acid
N-(2-methylbenzoyl)glycine
N-(o-Toluoyl)glycine
o-Toluric acid
hmdb:HMDB0011723
YOEBAVRJHRCKRE-UHFFFAOYSA-N 		2-Methylhippuric acid
2-Methylhippate
2-Methylhippic acid
2-[(2-methylphenyl)formamido]acetic acid
N-(2-Methylbenzoyl)-glycine
N-(2-Methylbenzoyl)glycine
N-(Methylbenzoyl)-glycine
N-(Methylbenzoyl)glycine
N-(O-Toluoyl)-glycine
N-(O-Toluoyl)glycine
O-Methylhippate
O-Methylhippic acid
O-Methylhippuric acid
O-Tolate
O-Tolic acid
O-Toluric acid
Ortho-methylhippuric acid
methyl hippurate

vmhM:CE2934
vmhmetabolite:CE2934
YOEBAVRJHRCKRE-UHFFFAOYSA-N 		2-Methylhippuric acid
2-[(2-methylphenyl)formamido]acetic acid

bigg.metabolite:CE2934
biggM:CE2934
YOEBAVRJHRCKRE-UHFFFAOYSA-N 		O-methylhippurate

hmdb:HMDB11723
biggM:M_CE2934
vmhM:M_CE2934 		secondary/obsolete/fantasy identifier