ChEBI


 17 16  0  0  1  0  0  0  0  0  1 V2000
   11.3620  -15.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620  -16.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620  -18.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620  -19.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620  -20.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620  -22.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5138  -14.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320  -16.9290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6920  -16.9290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320  -18.2590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6920  -18.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320  -19.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6920  -19.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320  -20.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6920  -20.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9047  -17.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8287  -18.8480    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:32574

> <NAME>
D-rhodosamine

> <DEFINITION>
A trideoxyhexose deoxygenated at positions 2, 3 and 6; and carrying a 3-dimethylamino substituent.

> <STAR>
3

> <SYNONYM>
D-Rhodosamine; 2,3,6-Trideoxy-3-dimethylamino-D-lyxo-hexopyranose

> <IUPAC_NAME>
2,3,6-trideoxy-3-dimethylamino-D-lyxo-hexose

> <FORMULA>
C8H17NO3

> <MASS>
175.22552

> <MONOISOTOPIC_MASS>
175.12084

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H17NO3/c1-6(11)8(12)7(4-5-10)9(2)3/h5-8,11-12H,4H2,1-3H3/t6-,7-,8+/m1/s1

> <INCHIKEY>
WMUYJHSRMOORHK-PRJMDXOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2433032

> <CAS_REGISTRY_NUMBER>
30636-50-1

> <CHEMIDPLUS>
30636-50-1

> <PUBMED_CITATION>
4795254

$$$$