ChEBI


 17 16  0  0  1  0  0  0  0  0  1 V2000
    6.5360   -4.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5360   -6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5360   -7.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5360   -8.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5360  -10.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5360  -11.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878   -4.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060   -6.2763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660   -6.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060   -7.6063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660   -7.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060   -8.9363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660   -8.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060  -10.2663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660  -10.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1547   -6.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -8.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  2  8  1  1  0  0  0
  2  9  1  1  0  0  0
  3 10  1  1  0  0  0
  3 11  1  1  0  0  0
  4 12  1  1  0  0  0
  4 13  1  1  0  0  0
  5 14  1  1  0  0  0
  5 15  1  1  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
M  END
> <ID>
CHEBI:32569

> <NAME>
mycaminose

> <STAR>
3

> <SYNONYM>
Mycaminose; 3,6-Dideoxy-3-(dimethylamino)-D-glucose

> <IUPAC_NAME>
3,6-dideoxy-3-dimethylamino-D-glucose

> <FORMULA>
C8H17NO4

> <MASS>
191.22492

> <MONOISOTOPIC_MASS>
191.11576

> <CHARGE>
0

> <SMILES>
[H][C@](C)(O)[C@@]([H])(O)[C@]([H])(N(C)C)[C@@]([H])(O)C=O

> <INCHI>
InChI=1S/C8H17NO4/c1-5(11)8(13)7(9(2)3)6(12)4-10/h4-8,11-13H,1-3H3/t5-,6+,7-,8-/m1/s1

> <INCHIKEY>
IJUPCLYLISRDRA-ULAWRXDQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1707593

> <CAS_REGISTRY_NUMBER>
519-21-1

> <CHEMIDPLUS>
519-21-1

$$$$