Marvin  04270914412D          

 22 24  0  0  1  0            999 V2000
   -0.2952   -1.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0800   -1.3753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0800   -0.5502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0403   -2.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473   -1.8602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954   -0.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -0.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895   -0.9627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0229   -0.1673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7341   -0.5857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5558   -1.3913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9435    0.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -0.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9109   -1.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027   -2.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967   -0.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040   -0.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054   -0.7143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6187   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
 10  6  1  0  0  0  0
  1  4  1  1  0  0  0
  1  2  1  0  0  0  0
  2  5  1  6  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  1  0  0  0
  8  7  1  0  0  0  0
 10  9  1  6  0  0  0
  9 22  1  0  0  0  0
 10 20  1  0  0  0  0
 21 11  1  0  0  0  0
 21 16  1  0  0  0  0
 11 14  1  1  0  0  0
 11 12  1  0  0  0  0
 12 15  1  6  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  1  0  0  0
 18 17  1  0  0  0  0
 21 19  1  1  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:17618

> <NAME>
bis-D-fructose 2',1:2,1'-dianhydride

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13915; CHEBI:3123; CHEBI:22895

> <SYNONYM>
Difructose anhydride I; Di-D-fructose 1,2'; 2,1' dianhydride; Di-D-fructose 1,2'-2,1' dianhydride; bis-D-fructose 2',1:2,1'-dianhydride; Bis-D-fructose 2',1:2,1'-dianhydride

> <FORMULA>
C12H20O10

> <MASS>
324.28120

> <MONOISOTOPIC_MASS>
324.10565

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@]2(CO[C@@]3(CO2)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C12H20O10/c13-1-5-7(15)9(17)11(21-5)3-20-12(4-19-11)10(18)8(16)6(2-14)22-12/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1

> <INCHIKEY>
DKOQIDXJOZQKIG-IYDDCBTQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
29826

> <CAS_REGISTRY_NUMBER>
3568-49-8

> <CHEMIDPLUS>
3568-49-8

> <KEGG_COMPOUND_ACCESSION>
C04333

$$$$