235321
  -OEChem-04272400392D

 55 58  0     1  0  0  0  0  0999 V2000
    4.6557   -0.1057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7244   -0.1057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1945    1.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    3.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4264   -4.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074    4.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3834   -4.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1945    0.3943    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1945   -0.6057    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2435    0.7033    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1407   -0.9105    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1407    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2435   -0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344    1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4514   -1.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    1.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6036    2.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836   -2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4299   -2.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0942   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2946    3.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7406   -3.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    3.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727   -3.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370   -5.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765    5.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3619   -4.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1953   -1.2257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311    0.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7532   -1.0067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6781    1.0082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8897    1.2659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7065   -1.2248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4956   -1.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    1.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414    1.4015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2100    2.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1769   -2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8440   -1.6058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7094    3.8093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3472   -3.1456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    2.6929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.8173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    1.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1477   -5.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9296   -5.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3264   -5.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373    4.8358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0914    5.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2158    5.6655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2340   -5.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9686   -5.0466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898   -4.3121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 37  1  0  0  0  0
  4 20  1  0  0  0  0
  4 26  1  0  0  0  0
  5 21  1  0  0  0  0
  5 27  1  0  0  0  0
  6 24  1  0  0  0  0
  6 28  1  0  0  0  0
  7 25  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 22  2  0  0  0  0
 17 39  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 23  2  0  0  0  0
 19 41  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
235321

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
545

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAASAAABQAAAGgAACAAADVSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNJiKEMRqCcCIlwBELqAfA4PwOoAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6<I>a</I>-tetrahydro-1<I>H</I>-furo[3,4-c]furan-3<I>a</I>-ol

> <PUBCHEM_IUPAC_NAME>
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H26O7/c1-24-16-7-5-13(9-18(16)26-3)20-15-11-28-21(22(15,23)12-29-20)14-6-8-17(25-2)19(10-14)27-4/h5-10,15,20-21,23H,11-12H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
MEIWPHMJWJAVIY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
402.16785316

> <PUBCHEM_MOLECULAR_FORMULA>
C22H26O7

> <PUBCHEM_MOLECULAR_WEIGHT>
402.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
75.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
402.16785316

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
10  14  3
11  15  3
14  16  8
14  17  8
15  18  8
15  19  8
16  20  8
17  22  8
18  21  8
19  23  8
20  24  8
21  25  8
22  24  8
23  25  8
8  3  3
9  13  3

$$$$