Marvin  11230712102D          

 18 19  0  0  1  0            999 V2000
   15.0668   -3.6027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0668   -2.7777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994   -4.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7343   -4.0877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7813   -2.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3524   -2.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6543   -4.8723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4793   -4.8723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.5189   -3.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4958   -2.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9643   -5.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668   -1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668   -0.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1694   -5.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5050   -6.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3524   -1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7813   -1.5402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4958   -1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 17  1  0  0  0  0
  5 10  2  0  0  0  0
  6 16  2  0  0  0  0
  7 14  1  1  0  0  0
  7  8  1  0  0  0  0
  8 11  1  6  0  0  0
 17 12  1  0  0  0  0
 12 13  2  0  0  0  0
 16 12  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:20129

> <NAME>
3-methylcytidine

> <STAR>
3

> <SYNONYM>
3-methyl-4,N(4)-didehydro-3,4-dihydrocytidine

> <FORMULA>
C10H15N3O5

> <MASS>
257.24332

> <MONOISOTOPIC_MASS>
257.10117

> <CHARGE>
0

> <SMILES>
Cn1c(=N)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O

> <INCHI>
InChI=1S/C10H15N3O5/c1-12-6(11)2-3-13(10(12)17)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,11,14-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1

> <INCHIKEY>
RDPUKVRQKWBSPK-ZOQUXTDFSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
620605

> <CAS_REGISTRY_NUMBER>
2140-64-9

> <CHEMIDPLUS>
2140-64-9

$$$$