439709
  -OEChem-02210610592D

 24 24  0     1  0  0  0  0  0999 V2000
    4.8086    1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118    0.1816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -0.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -0.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8031    1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607    0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    1.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    0.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -0.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -0.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -1.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676    1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852    2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  6  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  6  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  4 16  1  0  0  0  0
  5  6  1  6  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439709

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4YMAAAAAAAAAAAAAAAAAAIAEAAAAAAAAAAAAAAAAAGgAAAAAIAACgFAgACAACgAAGAAAAAAAAAAAAAAAAAAAAAAAAEBEAAAAAAAIFAEACAAcAAAxgwAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1

> <PUBCHEM_CACTVS_XLOGP>
-2.781

> <PUBCHEM_OPENEYE_MF>
C6H12O6

> <PUBCHEM_OPENEYE_MW>
180.156

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(O1)(CO)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
110.38

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
3848329

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
053188231

> <PUBCHEM_SUBSTANCE_SYNONYM>
53188-23-1
beta-D-Fructose
beta-Levulose

> <PUBCHEM_GENERIC_REGISTRY_NAME>
53188-23-1

> <PUBCHEM_XREF_EXT_ID>
053188231

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=053188231

> <PUBCHEM_CID_ASSOCIATIONS>
439709  1

> <PUBCHEM_BONDANNOTATIONS>
2  1  5
2  8  6
3  9  6
4  10  5
5  6  6

$$$$