892
  -OEChem-02210611252D

 24 24  0     0  0  0  0  0  0999 V2000
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6200    0.0000 H   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  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
892

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4YMAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAGgAAAAAIAACgFAgAAAACgAACAAAAAAAAAAAAAAAAAAAAAAAAEAEAAAAAAAIFAEAAAAEAAKTgwAEAAAAAAAAAAAAAAgCAAAAQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclohexane-1,2,3,4,5,6-hexol

> <PUBCHEM_IUPAC_CAS_NAME>
cyclohexane-1,2,3,4,5,6-hexol

> <PUBCHEM_IUPAC_NAME>
cyclohexane-1,2,3,4,5,6-hexol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclohexane-1,2,3,4,5,6-hexol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexane-1,2,3,4,5,6-hexol

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H

> <PUBCHEM_CACTVS_XLOGP>
-4.344

> <PUBCHEM_OPENEYE_MF>
C6H12O6

> <PUBCHEM_OPENEYE_MW>
180.156

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(C(C(C(C(C1O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(C(C(C(C(C1O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
121.38

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
3437

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00137

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.18
Is a reactant or product of enzyme EC 1.13.99.1
Is a reactant or product of enzyme EC 2.1.1.39
Is a reactant or product of enzyme EC 2.1.1.40
Is a reactant or product of enzyme EC 2.1.1.129
Is a reactant or product of enzyme EC 2.3.1.72
Is a reactant or product of enzyme EC 2.4.1.67
Is a reactant or product of enzyme EC 2.4.1.82
Is a reactant or product of enzyme EC 2.4.1.123
Is a reactant or product of enzyme EC 2.7.1.64
Is a reactant or product of enzyme EC 2.7.8.11
Is a reactant or product of enzyme EC 3.1.3.25
Is a reactant or product of enzyme EC 3.1.4.44
Is a reactant or product of enzyme EC 3.2.1.22

> <PUBCHEM_SUBSTANCE_SYNONYM>
1D-myo-Inositol
1L-myo-Inositol
87-89-8
Bios I
C00137
Cyclohexitol
D-myo-Inositol
Dambose
Inositol
L-myo-Inositol
Meat sugar
meso-Inositol
myo-Inositol

> <PUBCHEM_GENERIC_REGISTRY_NAME>
87-89-8

> <PUBCHEM_XREF_EXT_ID>
C00137

> <PUBCHEM_GENBANK_PROTEIN_ID>
443382
443383
996146
996147
996148
996149
996154
996155
996164
996165
996172
996173
996175
2914660
2914661
11513829
11513830
13787079
13787080
13787081
13787082
21466040
21466041
21466042
21466043
21466044
21466045
21466046
21466047
21466048
21466049
33358179
47168708
47168709
47168710
47168711
52695597
56553811
61680900
61680901
73536017

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00137

> <PUBCHEM_CID_ASSOCIATIONS>
892  1

$$$$