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benzyl (2R,3S)-2-methyl-3-hydroxybutanoate

PropertiesImage
MNX_IDMNXM16243 Image of MNXM16243
referencechebi:16239
formulaC12H16O3
global charge0
mol weight208.257
InChIKeyVDARBCCMTDKLBW-ZJUUUORDSA-N
InChIInChI=1S/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/t9-,10+/m1/s1
SMILESC[C@H](O)[C@@H](C)C(=O)OCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/t9-,10+/m1/s1 Image of MNXM16243
SMILES (mnx)[CH3:1][C@H:9]([C@H:10]([CH3:2])[OH:13])[C:12](=[O:14])[O:15][CH2:8][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]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:16239
chebi:16239
VDARBCCMTDKLBW-ZJUUUORDSA-N
benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
benzyl (2R,3S)-3-hydroxy-2-methylbutanoate

kegg.compound:C04561
keggC:C04561
VDARBCCMTDKLBW-ZJUUUORDSA-N
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate

seed.compound:cpd02778
seedM:cpd02778
VDARBCCMTDKLBW-ZJUUUORDSA-N
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
3-hydroxy-2-methyl-butanoic acid benzyl ester
benzyl (2r,3s)-2-methyl-3-hydroxybutanoate

metacyc.compound:BENZYL-2R3S-2-METHYL-3-HYDROXYBUTANOA
metacycM:BENZYL-2R3S-2-METHYL-3-HYDROXYBUTANOA
VDARBCCMTDKLBW-ZJUUUORDSA-N
benzyl (2r,3s)-2-methyl-3-hydroxybutanoate
3-hydroxy-2-methyl-butanoic acid benzyl ester

chebi:13886
chebi:22739
chebi:3050
keggC:M_C04561
seedM:M_cpd02778
secondary/obsolete/fantasy identifier