Marvin  03231115592D          

 17 17  0  0  1  0            999 V2000
   18.9521  -21.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0547  -23.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8495  -23.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6195  -21.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4042  -21.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3646  -22.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5396  -22.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1413  -21.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8557  -21.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5702  -21.5726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5702  -20.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2847  -21.9851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5702  -22.3975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4268  -21.9851    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.7123  -22.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8393  -22.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0143  -21.2706    0.0000 O   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
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
> <ID>
CHEBI:61701

> <NAME>
L-ascorbic acid 6-phosphate

> <DEFINITION>
An aldonolactone phosphate that is the 6-phosphate ester of L-ascorbic acid.

> <STAR>
3

> <SYNONYM>
L-ascorbyl phosphate; L-ascorbic acid phosphate ester

> <IUPAC_NAME>
6-O-phospho-L-threo-hex-2-eno-1,4-lactone; (2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl dihydrogen phosphate

> <FORMULA>
C6H9O9P

> <MASS>
256.10400

> <MONOISOTOPIC_MASS>
255.99842

> <CHARGE>
0

> <SMILES>
[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)COP(O)(O)=O

> <INCHI>
InChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/t2-,5+/m0/s1

> <INCHIKEY>
KIENGQUGHPTFGC-JLAZNSOCSA-N

> <REAXYS_REGISTRY_NUMBER>
15626553

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