Marvin  12081016452D          

 17 16  0  0  1  0            999 V2000
   12.6070   -4.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8926   -4.9880    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1781   -4.5755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4636   -4.9880    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7492   -4.5755    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6070   -3.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8926   -5.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1781   -3.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4636   -5.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492   -3.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3215   -4.9880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0347   -4.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202   -4.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057   -4.9880    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913   -4.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057   -5.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057   -4.1630    0.0000 O   0  0  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  END
> <ID>
CHEBI:17942

> <NAME>
D-allose 6-phosphate

> <DEFINITION>
An allose phosphate consisting of D-allose having a monophosphate group at the 6-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4094; CHEBI:12907; CHEBI:20901

> <SYNONYM>
D-Allose 6-phosphate

> <IUPAC_NAME>
D-allose 6-(hydrogen phosphate); 6-O-phosphono-D-allose

> <FORMULA>
C6H13O9P

> <MASS>
260.13580

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

> <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)/t3-,4+,5-,6+/m0/s1

> <INCHIKEY>
VFRROHXSMXFLSN-BGPJRJDNSA-N

> <KEGG_COMPOUND_ACCESSION>
C02962

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