Marvin  03131310372D          

 23 23  0  0  1  0            999 V2000
   12.4843  -10.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7732   -9.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4843  -11.0996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0621  -10.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7732  -11.5179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2372  -11.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0621  -11.0996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3509   -9.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7732  -12.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3509  -11.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6398  -10.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2005   -9.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7715   -9.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0571   -8.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3439   -8.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0582   -9.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2005   -9.0702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6294   -9.0704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6294   -9.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9148   -8.6577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9148   -7.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4860   -8.6577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4860   -7.8328    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
  3  5  1  0  0  0  0
  3  6  1  6  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  1  0  0  0
  7 10  1  6  0  0  0
  8 11  1  0  0  0  0
  5  7  1  0  0  0  0
  1 12  1  6  0  0  0
 13 22  1  0  0  0  0
 22 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 18  1  0  0  0  0
 18 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 12  1  6  0  0  0
 18 19  1  6  0  0  0
 20 21  1  6  0  0  0
 22 23  1  1  0  0  0
M  END
> <ID>
CHEBI:68428

> <NAME>
maltitol

> <DEFINITION>
An α-D-glucoside consisting of D-glucitol having an α-D-glucosyl residue attached at the 4-position. Used as a sugar substitute.

> <STAR>
3

> <SYNONYM>
WURCS=2.0/2,2,1/[h2122h][a2122h-1a_1-5]/1-2/a4-b1; D-Maltitol; alpha-D-glucosyl-(1->4)-D-glucitol; alpha-D-Glcp-(1->4)-D-Glc-ol; alpha-D-Glc-(1->4)-D-Glc-ol; 4-O-alpha-D-glucopyranosyl-D-glucitol; (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentol

> <IUPAC_NAME>
alpha-D-glucopyranosyl-(1->4)-D-glucitol

> <FORMULA>
C12H24O11

> <MASS>
344.31240

> <MONOISOTOPIC_MASS>
344.13186

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1

> <INCHIKEY>
VQHSOMBJVWLPSR-WUJBLJFYSA-N

> <CAS_REGISTRY_NUMBER>
585-88-6

> <REAXYS_REGISTRY_NUMBER>
89983

> <CHEMIDPLUS>
585-88-6

> <KEGG_DRUG_ACCESSION>
D04845

> <METACYC_ACCESSION>
CPD-3609

> <WIKIPEDIA_ACCESSION>
Maltitol

> <PUBMED_CITATION>
15063216; 20370946; 20465435; 21179684; 21481716; 21834103; 21951305; 22585934; 22735334

$$$$