Ketcher 12142020322D 1   1.00000     0.00000     0

 23 23  0     1  0            999 V2000
    7.4185   -8.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1505   -8.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185  -11.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6864  -10.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1505  -10.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825   -8.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6864   -7.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7487   -6.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6145   -8.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4808   -6.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185  -10.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2845  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2845   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0166   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6864   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1505   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7486   -7.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6146   -7.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4807   -7.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0     0  0
  1 16  1  0     0  0
  2 16  1  0     0  0
  2 20  1  0     0  0
 12  3  1  1     0  0
 13  4  1  6     0  0
 14  5  1  6     0  0
 17  6  1  1     0  0
 19  7  1  6     0  0
  8 18  1  0     0  0
 21  9  1  6     0  0
 22 10  1  1     0  0
 11 23  1  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 14 16  1  0     0  0
 15 18  1  1     0  0
 17 19  1  0     0  0
 17 20  1  0     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
M  END
> <ID>
CHEBI:157047

> <NAME>
1-O-D-glucopyranosyl-D-mannitol

> <DEFINITION>
A glycosyl alditol consistion of a D-glucopyranose and a D-manitol residue joined in sequence by a (1→1) glycosidic bond.

> <STAR>
3

> <SYNONYM>
WURCS=2.0/2,2,1/[h1122h][a2122h-1x_1-5]/1-2/a6-b1; D-Glcp-(1->1)-D-Man-OH; (2R,3R,4R,5R)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol

> <IUPAC_NAME>
1-O-D-glucopyranosyl-D-mannitol

> <FORMULA>
C12H24O11

> <MASS>
344.313

> <MONOISOTOPIC_MASS>
344.13186

> <CHARGE>
0

> <SMILES>
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI>
InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12?/m1/s1

> <INCHIKEY>
SERLAGPUMNYUCK-KRRIELLYSA-N

$$$$