171001
  -OEChem-04192401082D

 17 18  0     1  0  0  0  0  0999 V2000
    5.1199    1.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3568    0.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183    0.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421   -0.0184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2431   -0.5272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9843    0.4387    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3832    0.9475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0148   -0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416   -1.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4924    0.0613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1632    1.7686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5932   -0.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7803   -1.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531   -1.9302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813    0.6287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  6  3  1  6  0  0  0
  3 16  1  0  0  0  0
  7  4  1  1  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
171001

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
126

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAASJAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAADAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4R,5R,6R)-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4R,5R,6R)-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>R</I>)-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol

> <PUBCHEM_IUPAC_NAME>
(1R,4R,5R,6R)-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4R,5R,6R)-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4R,5R,6R)-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8O4/c6-3-2-1-8-5(9-2)4(3)7/h2-7H,1H2/t2-,3+,4-,5-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OYJJPEGOLXZHDM-KKQCNMDGSA-N

> <PUBCHEM_XLOGP3_AA>
-1.5

> <PUBCHEM_EXACT_MASS>
132.04225873

> <PUBCHEM_MOLECULAR_FORMULA>
C5H8O4

> <PUBCHEM_MOLECULAR_WEIGHT>
132.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C(C(C(O1)O2)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]2[C@@H]([C@H]([C@H](O1)O2)O)O

> <PUBCHEM_CACTVS_TPSA>
58.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
132.04225873

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
6  3  6
7  4  5
5  10  5
8  13  6

$$$$