Ketcher 05171616512D 1   1.00000     0.00000     0

 16 16  0     1  0            999 V2000
   11.0846   -4.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2142   -3.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9510   -4.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0922   -5.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0690   -2.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9394   -3.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8178   -4.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2142   -4.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3486   -4.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0618   -1.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8022   -2.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793   -4.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6152   -4.9509    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.7472   -4.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6192   -5.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6152   -3.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0     0  0
  8  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  6     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  1     0  0
  5  6  1  0     0  0
  8  9  1  0     0  0
  5 10  2  0     0  0
  6 11  1  6     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
 13 16  1  0     0  0
M  END
> <ID>
CHEBI:131946

> <NAME>
valienone 7-phosphate

> <DEFINITION>
A hydroxyalkyl phosphate that is valienone carrying a single monophosphate substituent at position 7.

> <STAR>
3

> <IUPAC_NAME>
[(4R,5S,6R)-4,5,6-trihydroxy-3-oxocyclohex-1-en-1-yl]methyl dihydrogen phosphate

> <FORMULA>
C7H11O8P

> <MASS>
254.132

> <MONOISOTOPIC_MASS>
254.01915

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H11O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h1,5-7,9-11H,2H2,(H2,12,13,14)/t5-,6+,7+/m1/s1

> <INCHIKEY>
OIBXQBFLSXHTEZ-VQVTYTSYSA-N

> <PUBMED_CITATION>
17335096

$$$$