Marvin  03200817332D          

 10  9  0  0  0  0            999 V2000
    0.3572   -0.2169    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0717    0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.1956    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1  2  1  0  0  0  0
  7  2  2  0  0  0  0
  3  1  1  0  0  0  0
 10  3  1  0  0  0  0
  4  3  1  0  0  0  0
  8  4  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
> <ID>
CHEBI:15674

> <NAME>
2,3-dihydroxybutanedioic acid

> <DEFINITION>
A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9404

> <SYNONYM>
Tartaric acid; L-Tartaric acid; 2,3-dihydroxysuccinic acid; (R,R)-Tartrate; (2R,3R)-Tartaric acid; (+)-Tartaric acid

> <IUPAC_NAME>
2,3-dihydroxybutanedioic acid

> <FORMULA>
C4H6O6

> <MASS>
150.08684

> <MONOISOTOPIC_MASS>
150.01644

> <CHARGE>
0

> <SMILES>
OC(C(O)C(O)=O)C(O)=O

> <INCHI>
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)

> <INCHIKEY>
FEWJPZIEWOKRBE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
87-69-4

> <GMELIN_REGISTRY_NUMBER>
27021

> <REAXYS_REGISTRY_NUMBER>
510169

> <KEGG_COMPOUND_ACCESSION>
C00898

> <KEGG_DRUG_ACCESSION>
D00103

> <KNAPSACK_ACCESSION>
C00001206

> <WIKIPEDIA_ACCESSION>
Tartaric_Acid

$$$$