Marvin  02021111122D          

 18 19  0  0  1  0            999 V2000
   14.5797  -10.4944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9137  -10.9812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1709  -11.7651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9959  -11.7627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.2486  -10.9774    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7584  -12.4795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4084  -12.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1992  -10.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9630  -10.5649    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.4848  -10.9812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6775   -9.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9630   -9.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6775  -10.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3920  -10.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3920   -9.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1064  -10.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1064  -11.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8209  -10.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  6  0  0  0
  4  7  1  6  0  0  0
  2  8  1  1  0  0  0
  5  9  1  1  0  0  0
  8 10  1  0  0  0  0
 12  9  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  1   9   1
M  END
> <ID>
CHEBI:27748

> <NAME>
D-ribosylnicotinic acid

> <DEFINITION>
A pyridine nucleoside consisting of nicotinic acid with a β-D-ribofuranosyl moiety at the 1-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:61161; CHEBI:7560; CHEBI:25531

> <SYNONYM>
nicotinic acid riboside; Nicotinate D-ribonucleoside

> <IUPAC_NAME>
3-carboxy-1-(D-ribofuranosyl)pyridinium

> <FORMULA>
C11H14NO6

> <MASS>
256.23200

> <MONOISOTOPIC_MASS>
256.08156

> <CHARGE>
1

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]1cccc(c1)C(O)=O

> <INCHI>
InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1

> <INCHIKEY>
PUEDDPCUCPRQNY-ZYUZMQFOSA-O

> <BEILSTEIN_REGISTRY_NUMBER>
7043166

> <REAXYS_REGISTRY_NUMBER>
7043166

> <KEGG_COMPOUND_ACCESSION>
C05841

$$$$