Marvin  03281114232D          

  9  8  0  0  0  0            999 V2000
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  1  2  1  0  0  0  0
  7  3  2  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
M  END
> <ID>
CHEBI:30796

> <NAME>
(R)-malic acid

> <DEFINITION>
An optically active form of malic acid having (R)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44073; CHEBI:42060; CHEBI:342; CHEBI:18686

> <SYNONYM>
D-malic acid; D-Malic acid; 2-HYDROXY-SUCCINIC ACID; (R)-2-hydroxybutanedioic acid; (+)-D-malic acid

> <IUPAC_NAME>
(2R)-2-hydroxybutanedioic acid

> <FORMULA>
C4H6O5

> <MASS>
134.08740

> <MONOISOTOPIC_MASS>
134.02152

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1

> <INCHIKEY>
BJEPYKJPYRNKOW-UWTATZPHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723540

> <CAS_REGISTRY_NUMBER>
636-61-3

> <REAXYS_REGISTRY_NUMBER>
1723540

> <CHEMIDPLUS>
636-61-3

> <KEGG_COMPOUND_ACCESSION>
C00497

> <METACYC_ACCESSION>
CPD-660

> <NIST_CHEMISTRY_WEBBOOK>
636-61-3

> <PDBECHEM_ACCESSION>
MLT

> <WIKIPEDIA_ACCESSION>
Malic_acid

> <PUBMED_CITATION>
13842473; 22735334; 8620111

$$$$