Marvin  04250715262D          

 22 21  0  0  0  0            999 V2000
   -1.2500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5355   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4250    2.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.5875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0750    1.5875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    0.7625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0750    0.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0750   -0.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5355    4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    4.4750    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.1145    4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
 10  4  1  1  0  0  0
 12  5  1  1  0  0  0
 14  6  1  1  0  0  0
 16  7  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 13  1  1  0  0  0
 14 15  1  1  0  0  0
 16 17  1  1  0  0  0
 18 21  1  0  0  0  0
 21 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:9082

> <NAME>
sedoheptulose 1-phosphate

> <STAR>
3

> <SYNONYM>
Sedoheptulose 1-phosphate; altro-Heptulose 1-phosphate

> <IUPAC_NAME>
D-altro-hept-2-ulose 1-(dihydrogen phosphate); 1-O-phosphono-D-altro-hept-2-ulose

> <FORMULA>
C7H15O10P

> <MASS>
290.16176

> <MONOISOTOPIC_MASS>
290.04028

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3,5-9,11-13H,1-2H2,(H2,14,15,16)/t3-,5-,6-,7-/m1/s1

> <INCHIKEY>
JPTRNFAYXMBCLJ-SHUUEZRQSA-N

> <KEGG_COMPOUND_ACCESSION>
C06222

$$$$