Marvin  05220710132D          

 19 19  0  0  0  0            999 V2000
   -0.0625    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    1.4438    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6520    0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3664    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0625   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770    0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4914    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770    2.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770    1.4438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2059    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9204    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4914    1.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4914    2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1914    2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1914    1.8563    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.1914    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
 10  7  1  0  0  0  0
  7  5  1  0  0  0  0
  5  3  1  0  0  0  0
  3  2  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  1  0  0  0
  5  6  1  1  0  0  0
  7  8  1  6  0  0  0
 10  9  1  6  0  0  0
 10 13  1  0  0  0  0
 13 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  1  0  0  0
 15 18  1  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:28137

> <NAME>
D-glycero-D-manno-heptose 1-phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4189; CHEBI:21031

> <SYNONYM>
D-glycero-D-manno-Heptose 1-phosphate; 1-O-phosphono-D-glycero-Dmanno-heptopyranose

> <IUPAC_NAME>
D-glycero-Dmanno-heptopyranose 1-(dihydrogen phosphate)

> <FORMULA>
C7H15O10P

> <MASS>
290.16176

> <MONOISOTOPIC_MASS>
290.04028

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7?/m1/s1

> <INCHIKEY>
KMEJCSKJXSBBAN-NNPWBXLPSA-N

> <KEGG_COMPOUND_ACCESSION>
C07838

$$$$