439373
  -OEChem-02210611202D

 22 22  0     1  0  0  0  0  0999 V2000
    4.2208    0.0521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4118   -0.5357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0298   -0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.0521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -1.4867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4607   -0.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9336    0.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    0.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.3897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989    0.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    1.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.8621    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  4  1  0  0  0  0
  1 13  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  1  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439373

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4YMAAAAAAAAAAAAAAAAAAIAEAAAAAAAAAAAAAAAAAGgAAAAAIAACgFAgACAACgAAGAACQAAAIAAACCAAAAABAAQAAEAEAAAAAABYFAEACAAMAIAxsygEAAABAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one

> <PUBCHEM_IUPAC_NAME>
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1

> <PUBCHEM_CACTVS_XLOGP>
-2.571

> <PUBCHEM_OPENEYE_MF>
C6H10O6

> <PUBCHEM_OPENEYE_MW>
178.14

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

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

> <PUBCHEM_CACTVS_TPSA>
107.22

> <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>
6

> <PUBCHEM_SUBSTANCE_ID>
4282

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01040

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.20
Is a reactant or product of enzyme EC 1.1.3.8
Is a reactant or product of enzyme EC 3.1.1.17
Is a reactant or product of enzyme EC 3.1.1.25

> <PUBCHEM_SUBSTANCE_SYNONYM>
1128-23-0
C01040
L-Gulonic acid gamma-lactone
L-Gulono-1,4-lactone
L-Gulono-gamma-lactone
L-Gulonolactone
gamma-Gulonolactone

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1128-23-0

> <PUBCHEM_XREF_EXT_ID>
C01040

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01040

> <PUBCHEM_CID_ASSOCIATIONS>
439373  1

> <PUBCHEM_BONDANNOTATIONS>
1  13  6
2  6  5
4  9  5
5  10  5

$$$$