Marvin  09190714112D          

 16 16  0  0  0  0            999 V2000
    0.0625    2.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6049    2.2168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3194    2.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339    2.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444    1.8043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7299    2.2168    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4444    2.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1589    2.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839    3.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8089    2.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839    2.2168    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.9839    1.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.4323    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8875    0.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.4323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7625    0.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2 15  1  0  0  0  0
 15 13  1  0  0  0  0
 13  6  1  0  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  1  0  0  0
 15 16  1  6  0  0  0
M  END
> <ID>
CHEBI:37515

> <NAME>
D-fructofuranose 1-phosphate

> <DEFINITION>
The furanose form of D-fructose 1-phosphate.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20930; CHEBI:5174

> <SYNONYM>
Fructose 1-phosphate(furanose); 1-O-phosphono-D-fructofuranose

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

> <FORMULA>
C6H13O9P

> <MASS>
260.13578

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1

> <INCHIKEY>
RHKKZBWRNHGJEZ-VRPWFDPXSA-N

> <CAS_REGISTRY_NUMBER>
15978-08-2

> <REAXYS_REGISTRY_NUMBER>
2508153

> <KEGG_COMPOUND_ACCESSION>
C05000

> <KNAPSACK_ACCESSION>
C00019676

> <METACYC_ACCESSION>
D-fructofuranose-1-phosphate

$$$$