Marvin  05080816232D          

 10  9  0  0  1  0            999 V2000
    8.2967   -2.9943    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0098   -3.4092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5801   -3.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7004   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819   -2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7263   -2.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0060   -4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -3.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4318   -3.4092    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7227   -2.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
M  CHG  1   9  -1
M  END
> <ID>
CHEBI:49258

> <NAME>
(2R,3R)-2,3-dihydroxy-3-methylpentanoate

> <STAR>
3

> <SYNONYM>
(R)-2,3-Dihydroxy-3-methylvalerate; (R)-2,3-Dihydroxy-3-methylpentanoate; (2R,3R)-2,3-dihydroxy-3-methylvalerate; (2R,3R)-2,3-Dihydroxy-3-methylpentanoate; (2R,3R)-2,3-dihydroxy-3-methylpentanoate

> <IUPAC_NAME>
4,5-dideoxy-3-C-methyl-D-erythro-pentonate; (2R,3R)-2,3-dihydroxy-3-methylpentanoate

> <FORMULA>
C6H11O4

> <MASS>
147.14914

> <MONOISOTOPIC_MASS>
147.06628

> <CHARGE>
-1

> <SMILES>
CC[C@@](C)(O)[C@@H](O)C([O-])=O

> <INCHI>
InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/p-1/t4-,6+/m0/s1

> <INCHIKEY>
PDGXJDXVGMHUIR-UJURSFKZSA-M

> <KEGG_COMPOUND_ACCESSION>
C06007

$$$$