Marvin  04221017012D          

 14 14  0  0  0  0            999 V2000
   -1.2670    1.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814    1.1491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9814    0.3241    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2670   -0.0884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5525    0.3241    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5525    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    1.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670   -0.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959    1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959   -0.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620   -0.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    1.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  1  0  0  0
  2  9  1  1  0  0  0
  3 10  1  6  0  0  0
  5 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <ID>
CHEBI:59277

> <NAME>
N-acetyl-D-quinovosamine

> <DEFINITION>
D-Quinovosamine acetylated on the amino nitrogen.

> <STAR>
3

> <SYNONYM>
GlcNAc6Deoxy; D-QuiNAc; 2-Acetamido-2,6-dideoxy-D-glucose

> <IUPAC_NAME>
2-acetamido-2,6-dideoxy-D-glucopyranose

> <FORMULA>
C8H15NO5

> <MASS>
205.20840

> <MONOISOTOPIC_MASS>
205.09502

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6-,7-,8?/m1/s1

> <INCHIKEY>
XOCCAGJZGBCJME-ZQLGFOCFSA-N

> <KEGG_COMPOUND_ACCESSION>
C15481

> <PUBMED_CITATION>
12892948

$$$$