Marvin  02230714452D          

 23 24  0  0  1  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  6  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  1  1  0  0  0
  6 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 10  1  6  0  0  0
 14 16  1  0  0  0  0
 14 19  1  6  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  1  0  0  0
 17 18  1  0  0  0  0
 17 22  1  1  0  0  0
 18 21  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
> <ID>
CHEBI:17306

> <NAME>
maltose

> <DEFINITION>
A glycosylglucose consisting of two D-glucopyranose units connected by an α-(1→4)-linkage.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6668; CHEBI:14568; CHEBI:25144

> <SYNONYM>
Malzzucker; Maltose; maltobiose; Malt sugar; D-maltose; D-maltose; D-(+)-maltose; Cextromaltose; alpha-malt sugar; alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose; alpha-D-Glcp-(1->4)-D-Glcp; 4-O-alpha-D-glucopyranosyl-D-glucose; 4-O-alpha-D-glucopyranosyl-D-glucopyranose; 4-(alpha-D-glucosido)-D-glucose; 4-(alpha-D-glucopyranosido)-alpha-glucopyranose; 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose

> <IUPAC_NAME>
alpha-D-glucopyranosyl-(1->4)-D-glucose; alpha-D-glucopyranosyl-(1->4)-D-glucopyranose

> <FORMULA>
C12H22O11

> <MASS>
342.29648

> <MONOISOTOPIC_MASS>
342.11621

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1

> <INCHIKEY>
GUBGYTABKSRVRQ-PICCSMPSSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1292747

> <CAS_REGISTRY_NUMBER>
69-79-4

> <REAXYS_REGISTRY_NUMBER>
1292747

> <CHEMIDPLUS>
69-79-4

> <DRUGBANK_ACCESSION>
DB03323

> <KEGG_COMPOUND_ACCESSION>
C00208

> <KEGG_DRUG_ACCESSION>
D00044

> <KEGG_GLYCAN_ACCESSION>
G00275

> <KNAPSACK_ACCESSION>
C00001140

> <NIST_CHEMISTRY_WEBBOOK>
69-79-4

> <WIKIPEDIA_ACCESSION>
Maltose

> <PUBMED_CITATION>
16332759; 17723085; 22094343; 22185612; 22246222; 22252265; 22411612; 22424089; 22451670; 22469630; 22529943; 22573161; 22669197

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