Marvin  03310812352D          

 13 13  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -1.9370    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -0.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109   -0.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819   -0.0724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3819    0.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3819   -0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
 12  1  1  0  0  0  0
  7  2  1  0  0  0  0
  6  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  6  0  0  0
 12 13  1  6  0  0  0
M  CHG  1   2  -1
M  END
> <ID>
CHEBI:38290

> <NAME>
L-ascorbate

> <DEFINITION>
The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13082; CHEBI:13861

> <SYNONYM>
Vitamin C; L-ascorbic acid, ion(1-); L-ascorbate(1-); L-ascorbate; L-Ascorbate; Ascorbate

> <IUPAC_NAME>
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate

> <FORMULA>
C6H7O6

> <MASS>
175.11618

> <MONOISOTOPIC_MASS>
175.02481

> <CHARGE>
-1

> <SMILES>
[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO

> <INCHI>
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1

> <INCHIKEY>
CIWBSHSKHKDKBQ-JLAZNSOCSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3549814

> <CAS_REGISTRY_NUMBER>
299-36-5

> <GMELIN_REGISTRY_NUMBER>
506552

> <CHEMIDPLUS>
299-36-5

> <KEGG_COMPOUND_ACCESSION>
C00072

> <METACYC_ACCESSION>
ASCORBATE

> <PUBMED_CITATION>
18450228; 18678913; 19162177; 9506998

$$$$