Marvin  04290600562D          

  6  5  0  0  0  0            999 V2000
   -0.3572   -0.2062    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
   -0.3572   -1.0314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    0.2062    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
    1.0718   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <ID>
CHEBI:16995

> <NAME>
oxalic acid

> <DEFINITION>
An α,ω-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44583; CHEBI:25730; CHEBI:7811

> <SYNONYM>
Oxalsaeure; OXALIC ACID; Oxalic acid; HOOCCOOH; H2ox; Ethanedioic acid; ethane-1,2-dioic acid; Ethandisaeure

> <IUPAC_NAME>
oxalic acid

> <FORMULA>
C2H2O4

> <MASS>
90.03490

> <MONOISOTOPIC_MASS>
89.99531

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

> <INCHIKEY>
MUBZPKHOEPUJKR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
385686

> <CAS_REGISTRY_NUMBER>
144-62-7

> <GMELIN_REGISTRY_NUMBER>
2208

> <REAXYS_REGISTRY_NUMBER>
385686

> <CHEMIDPLUS>
144-62-7

> <DRUGBANK_ACCESSION>
DB03902

> <KEGG_COMPOUND_ACCESSION>
C00209

> <KNAPSACK_ACCESSION>
C00001198

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01170031

> <METACYC_ACCESSION>
OXALATE

> <NIST_CHEMISTRY_WEBBOOK>
144-62-7

> <PDBECHEM_ACCESSION>
OXD

> <WIKIPEDIA_ACCESSION>
Oxalic_acid

> <PUBMED_CITATION>
15587083; 22735334

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