Ketcher 07071511052D 1   1.00000     0.00000     0

 10  9  0     1  0            999 V2000
   14.0251   -7.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6232   -8.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4271   -8.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2932   -7.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0251   -8.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8912   -8.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1592   -8.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7573   -8.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2932   -8.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8912   -9.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6     0  0
  2  8  1  0     0  0
  3  9  1  0     0  0
  4  9  2  0     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  6 10  1  1     0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:86353

> <NAME>
2-deoxy-D-ribonate

> <DEFINITION>
A member of the class of ribonates that is the  conjugate base of 2-deoxy-D-ribonic acid.

> <STAR>
3

> <IUPAC_NAME>
2-deoxy-D-erythro-pentonate

> <FORMULA>
C5H9O5

> <MASS>
149.12250

> <MONOISOTOPIC_MASS>
149.04555

> <CHARGE>
-1

> <SMILES>
OC[C@@H](O)[C@@H](O)CC([O-])=O

> <INCHI>
InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/p-1/t3-,4+/m0/s1

> <INCHIKEY>
VBUWJOHKCBQXNU-IUYQGCFVSA-M

$$$$