Marvin  07041311142D          

 24 24  0  0  1  0            999 V2000
    9.5239   -5.7113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5272   -6.5365    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8053   -5.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8121   -6.9491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2356   -6.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0969   -5.7113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0969   -6.5365    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8053   -7.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9472   -6.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3818   -5.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3818   -6.9389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6666   -5.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341   -5.2981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341   -4.4738    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9383   -4.0674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5198   -4.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6465   -4.4764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3435   -4.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970   -3.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6445   -2.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166   -2.8313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521   -3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6465   -5.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8060   -4.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  1  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  1  0  0  0  0
  6 10  1  6  0  0  0
  7 11  1  1  0  0  0
 10 12  1  0  0  0  0
  6  7  1  0  0  0  0
  1 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  6  0  0  0
 17 23  1  1  0  0  0
 16 24  2  0  0  0  0
M  END
> <ID>
CHEBI:9283

> <NAME>
streptobiosamine

> <DEFINITION>
An amino disaccharide that is a 2-deoxy-2-(methylamino)-α-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3.

> <STAR>
3

> <IUPAC_NAME>
5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-L-lyxose

> <FORMULA>
C13H23NO9

> <MASS>
337.32300

> <MONOISOTOPIC_MASS>
337.13728

> <CHARGE>
0

> <SMILES>
[H]C(=O)[C@@](O)([C@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC)C=O

> <INCHI>
InChI=1S/C13H23NO9/c1-6(18)13(21,5-17)8(4-16)23-12-9(14-2)11(20)10(19)7(3-15)22-12/h4-12,14-15,18-21H,3H2,1-2H3/t6-,7-,8-,9-,10-,11-,12-,13+/m0/s1

> <INCHIKEY>
UNTJYOFZBHSHIU-HXYRURAXSA-N

> <CAS_REGISTRY_NUMBER>
126-05-6

> <CHEMIDPLUS>
126-05-6

> <KEGG_COMPOUND_ACCESSION>
C07655

$$$$