Marvin  06060714402D          

 17 17  0  0  0  0            999 V2000
    0.2500    1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9645    1.0063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6789    1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039    2.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039    0.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039    1.4188    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.3289    1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4645    1.0063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2500   -0.2313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2500   -1.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4645    0.1812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9645    0.1812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1789   -0.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -0.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8934    1.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1789    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1789    2.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
 11  9  1  0  0  0  0
  9 12  1  0  0  0  0
 12  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8 16  1  1  0  0  0
  9 10  1  1  0  0  0
 11 13  1  6  0  0  0
 12 14  1  6  0  0  0
 16 15  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <ID>
CHEBI:35145

> <NAME>
D-glucuronic acid 1-phosphate

> <DEFINITION>
A uronic acid phosphate consisting of D-glucuronic acid having a phosphate group attached at the 1-position.

> <STAR>
3

> <IUPAC_NAME>
1-O-phosphono-D-glucopyranuronic acid

> <FORMULA>
C6H11O10P

> <MASS>
274.11930

> <MONOISOTOPIC_MASS>
274.00898

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6?/m0/s1

> <INCHIKEY>
AIQDYKMWENWVQJ-AQKNRBDQSA-N

$$$$