Marvin  12040718462D          

 16 15  0  0  0  0            999 V2000
   -0.7145   -0.2475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.1650    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.8579   -0.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  1  0  0  0
  2  1  1  0  0  0  0
  2 12  1  1  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  4 11  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  1  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
 15  9  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:39737

> <NAME>
D-sorbose 1-phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:38343

> <SYNONYM>
D-xylo-hex-2-ulose 1-(dihydrogen phosphate); 1-O-phosphono-D-sorbose

> <IUPAC_NAME>
D-sorbose 1-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P

> <MASS>
260.13578

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

> <SMILES>
OC[C@@H](O)[C@H](O)[C@@H](O)C(=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/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m1/s1

> <INCHIKEY>
ZKLLSNQJRLJIGT-PYWDMBMJSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4784960

> <CAS_REGISTRY_NUMBER>
2650-47-7

> <CHEMIDPLUS>
2650-47-7

$$$$