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2-Benzylmalate

MNXM146889 is deprecated and here replaced by MNXM1106794
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106794 Image of MNXM1106794
referencechebi:181931
formulaC11H12O5
global charge0
mol weight224.212
InChIKeyZNAJIKYTBCGAQQ-LLVKDONJSA-N
InChIInChI=1S/C11H12O5/c12-9(13)7-11(16,10(14)15)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,13)(H,14,15)/t11-/m1/s1
SMILESO=C(O)C[C@](O)(CC1=CC=CC=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H12O5/c12-9(13)7-11(16,10(14)15)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,13)(H,14,15)/t11-/m1/s1 Image of MNXM1106794
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C@@:11]([CH2:7][C:9](=[O:12])[OH:13])([C:10](=[O:14])[OH:15])[OH:16])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181931
chebi:181931
ZNAJIKYTBCGAQQ-LLVKDONJSA-N 		2-Benzylmalate
(2R)-2-benzyl-2-hydroxybutanedioic acid

seed.compound:cpd31257
seedM:cpd31257
kegg.compound:C20653
keggC:C20653
ZNAJIKYTBCGAQQ-LLVKDONJSA-L
ZNAJIKYTBCGAQQ-LLVKDONJSA-N 		2-Benzylmalic acid
2-Benzylmalate

CHEBI:179101
chebi:179101
ZNAJIKYTBCGAQQ-UHFFFAOYSA-N 		2-Benzylmalic acid
2-benzyl-2-hydroxybutanedioic acid

metacyc.compound:CPD-15323
metacycM:CPD-15323
seed.compound:cpd35773
seedM:cpd35773
ZNAJIKYTBCGAQQ-UHFFFAOYSA-L 		2-benzyl-2-hydroxybutanedioate
2-benzylmalate
2-benzylmalic acid

envipath:...56b64474907d
envipathM:...56b64474907d
ZNAJIKYTBCGAQQ-UHFFFAOYSA-L 		compound 0044823

keggC:M_C20653
seedM:M_cpd31257
seedM:M_cpd35773 		secondary/obsolete/fantasy identifier