Marvin  12081016472D          

 17 16  0  0  1  0            999 V2000
   15.3935   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6791   -5.5417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9646   -5.1292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2501   -5.5417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5357   -5.1292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3935   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6791   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9646   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2501   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5357   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1080   -5.5417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8212   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1067   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3922   -5.5417    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.6778   -5.1292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3922   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3922   -4.7167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  2  1  1  0  0  0  0
 11  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  2  1  0  0  0  0
  3  8  1  1  0  0  0
  3  4  1  0  0  0  0
  4  9  1  6  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  2  15  -1  17  -1
M  END
> <ID>
CHEBI:58328

> <NAME>
D-allose 6-phosphate(2-)

> <DEFINITION>
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-allose 6-phosphate; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
D-allose 6-phosphate dianion; D-allose 6-phosphate; D-allose 6-phosphate

> <IUPAC_NAME>
D-allose 6-phosphate; 6-O-phosphonato-D-allose

> <FORMULA>
C6H11O9P

> <MASS>
258.11990

> <MONOISOTOPIC_MASS>
258.01517

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/p-2/t3-,4+,5-,6+/m0/s1

> <INCHIKEY>
VFRROHXSMXFLSN-BGPJRJDNSA-L

$$$$