Search MNXref
 Feedback

Benzoylmalic acid

PropertiesImage
MNX_IDMNXM119665 Image of MNXM119665
referencechebi:174225
formulaC11H10O6
global charge0
mol weight238.195
InChIKeyNVPJTXMOQCANSN-UHFFFAOYSA-N
InChIInChI=1S/C11H10O6/c12-9(13)6-8(10(14)15)17-11(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)
SMILESO=C(O)CC(OC(=O)C1=CC=CC=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H10O6/c12-9(13)6-8(10(14)15)17-11(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)/t8? Image of MNXM119665
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([C:11](=[O:16])[O:17][CH:8]([CH2:6][C:9](=[O:12])[OH:13])[C:10](=[O:14])[OH:15])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174225
chebi:174225
NVPJTXMOQCANSN-UHFFFAOYSA-N
Benzoylmalic acid
2-benzoyloxybutanedioic acid
hmdb:HMDB0039494
NVPJTXMOQCANSN-UHFFFAOYSA-N
Benzoylmalic acid
2-(Benzoyloxy)butanedioate
2-(benzoyloxy)butanedioic acid
Benzoylmalate
L-Malate benzoate
L-Malic acid benzoic acid

hmdb:HMDB39494
secondary/obsolete/fantasy identifier