Marvin  06070613472D          

 12 12  0  0  1  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  1  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   -0.4125    0.0000 C   0  0  2  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
   -0.7145   -0.4125    0.0000 C   0  0  2  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
   -1.4289   -0.8250    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
    1.4289    0.8250    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    1.6500    0.0000 O   0  0  0  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  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  6  8  1  6  0  0  0
  2  9  1  1  0  0  0
  3 10  1  1  0  0  0
  1 11  1  1  0  0  0
  4 12  1  6  0  0  0
M  END
> <ID>
CHEBI:17268

> <NAME>
myo-inositol

> <DEFINITION>
An inositol having myo- configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43559; CHEBI:10601; CHEBI:12826; CHEBI:12831; CHEBI:25451

> <SYNONYM>
Myoinositol; myo-inositol; myo-Inositol; meso-Inositol; Meat sugar; L-myo-Inositol; Ins; Inositol; inosite; i-inositol; Dambose; D-myo-Inositol; Cyclohexitol; cis-1,2,3,5-trans-4,6-cyclohexanehexol; Bios I; 1L-myo-Inositol; 1D-myo-Inositol; 1,2,3,5/4,6-cyclohexanehexol; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol

> <IUPAC_NAME>
myo-inositol

> <FORMULA>
C6H12O6

> <MASS>
180.15588

> <MONOISOTOPIC_MASS>
180.06339

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

> <INCHIKEY>
CDAISMWEOUEBRE-GPIVLXJGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1907329

> <CAS_REGISTRY_NUMBER>
87-89-8

> <GMELIN_REGISTRY_NUMBER>
82918

> <REAXYS_REGISTRY_NUMBER>
1907329

> <CHEMIDPLUS>
87-89-8

> <DRUGBANK_ACCESSION>
DB03106

> <KEGG_COMPOUND_ACCESSION>
C00137

> <KEGG_DRUG_ACCESSION>
D08079

> <KNAPSACK_ACCESSION>
C00001164

> <METACYC_ACCESSION>
MYO-INOSITOL

> <NIST_CHEMISTRY_WEBBOOK>
87-89-8

> <PDBECHEM_ACCESSION>
INS

> <WIKIPEDIA_ACCESSION>
Inositol

> <PUBMED_CITATION>
11034685; 11244303; 11323092; 11772411; 12478879; 12832083; 14583919; 14681857; 15181167; 15295080; 15558078; 16410747; 1694860; 17439666; 17722064; 18650262; 18854045; 19097871; 19383710; 22285975; 22461977; 22517104; 838172

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