Marvin  10160714332D          

 19 21  0  0  0  0            999 V2000
    5.5381   -0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9671   -0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9671    0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7517    0.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366   -0.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2526   -1.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5381    0.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2526    0.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7517   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9652   -1.6532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4645   -2.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9333   -2.9877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7238   -2.7516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4383   -3.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7435   -1.9268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4580   -1.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7198   -3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9229   -3.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2526    1.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  1  6  1  0  0  0  0
  6  2  1  0  0  0  0
  2  9  1  0  0  0  0
  3  2  2  0  0  0  0
  8  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  9  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8 19  2  0  0  0  0
 10  9  1  1  0  0  0
 15 10  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  1  6  0  0  0
 15 16  1  6  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:42654

> <NAME>
formycin B

> <STAR>
3

> <SYNONYM>
Ohyamycin; Laurusin; FORMYCIN B

> <IUPAC_NAME>
(1S)-1,4-anhydro-1-(7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol

> <FORMULA>
C10H12N4O5

> <MASS>
268.22624

> <MONOISOTOPIC_MASS>
268.08077

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2c1[nH]cnc2=O

> <INCHI>
InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1

> <INCHIKEY>
MTCJZZBQNCXKAP-KSYZLYKTSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
624230

> <CAS_REGISTRY_NUMBER>
13877-76-4

> <CHEMIDPLUS>
13877-76-4

> <DRUGBANK_ACCESSION>
DB04198

> <PDBECHEM_ACCESSION>
FMB

$$$$