Marvin  12031009292D          

 21 20  0  0  1  0            999 V2000
   14.2373   -4.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5229   -4.9482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8083   -4.5357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0938   -4.9482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3794   -4.5357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2373   -3.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5229   -5.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8083   -3.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0938   -5.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3794   -3.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9517   -4.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6649   -4.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9504   -4.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2373   -6.1858    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.9518   -6.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6498   -5.4713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8248   -6.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359   -4.9482    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.5215   -5.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6484   -5.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8234   -4.2338    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  6  0  0  0
  4  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5  4  1  0  0  0  0
  5 10  1  1  0  0  0
 12  5  1  0  0  0  0
 12 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
  7 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
> <ID>
CHEBI:17680

> <NAME>
D-glucose 1,6-bisphosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4168; CHEBI:12966; CHEBI:21000

> <SYNONYM>
D-Glucose 1,6-bisphosphate; D-Glucose 1,6-biphosphate

> <IUPAC_NAME>
D-glucose 1,6-bis(dihydrogen phosphate); 2,6-di-O-phosphono-D-glucose

> <FORMULA>
C6H14O12P2; C6H14O12P2

> <MASS>
340.11570

> <MONOISOTOPIC_MASS>
339.99605

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H14O12P2/c7-1-4(18-20(14,15)16)6(10)5(9)3(8)2-17-19(11,12)13/h1,3-6,8-10H,2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6-/m1/s1

> <INCHIKEY>
ZJHWKVNJCGZAFV-JGWLITMVSA-N

> <CAS_REGISTRY_NUMBER>
10139-18-1

> <KEGG_COMPOUND_ACCESSION>
C00660

$$$$