Marvin  04170914072D          

 18 20  0  0  1  0            999 V2000
    0.9372   -0.2267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227   -1.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226   -2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371   -2.7017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -1.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -1.2093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212   -1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -2.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -3.3290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2062   -3.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -4.6639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4361   -5.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -6.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4757   -4.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -3.5839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1432   -3.0990    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
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
M  END
> <ID>
CHEBI:29014

> <NAME>
cordycepin

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19841; CHEBI:3881

> <SYNONYM>
Cordycepine; cordycepin; Cordycepin; 9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-; 9-Cordyceposidoadenine; 9-(beta-D-3'-Deoxyribofuranosyl)adenine

> <IUPAC_NAME>
3'-deoxyadenosine

> <FORMULA>
C10H13N5O3

> <MASS>
251.24190

> <MONOISOTOPIC_MASS>
251.10184

> <CHARGE>
0

> <SMILES>
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O

> <INCHI>
InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1

> <INCHIKEY>
OFEZSBMBBKLLBJ-BAJZRUMYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
0035194

> <CAS_REGISTRY_NUMBER>
73-03-0

> <CHEMIDPLUS>
73-03-0

> <KEGG_COMPOUND_ACCESSION>
C08431

> <KNAPSACK_ACCESSION>
C00001495

> <PDBECHEM_ACCESSION>
3AD

$$$$