13870570
  -OEChem-04282423232D

 49 51  0     1  0  0  0  0  0999 V2000
    4.6587   -0.1537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7357   -3.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    4.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677   -4.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    4.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2768   -0.1537    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9677    0.7974    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4677   -0.7415    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9677    0.7974    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2278   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555    1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677   -1.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800    1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6017   -2.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    2.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3338   -2.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854    1.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6017   -3.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    3.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3338   -3.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    2.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677   -3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    3.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7357   -4.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    5.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7152    0.2847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863    1.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153   -1.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3554    0.7004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362   -1.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8175   -0.6543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4194    0.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    1.2419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9200    2.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539    1.9708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0648   -1.9315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4033    2.5847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8707   -1.9315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    0.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8707   -3.5515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    2.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047   -5.0515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157   -4.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7357   -5.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3557   -4.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5194    5.4159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    5.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5163    4.6871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 42  1  0  0  0  0
  5 23  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  2  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 17 39  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
13870570

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
392

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAABQAAAGgAACAAADRSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNJiKGMRqCcCMkwBELuAfA4PwOoAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol

> <PUBCHEM_IUPAC_CAS_NAME>
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyl-2-oxolanyl]-2-methoxyphenol

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

> <PUBCHEM_IUPAC_NAME>
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methoxy-4-[5-(3-methoxy-4-oxidanyl-phenyl)-3,4-dimethyl-oxolan-2-yl]phenol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
GMXMKSFJQLFOSO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
344.16237386

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24O5

> <PUBCHEM_MOLECULAR_WEIGHT>
344.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C

> <PUBCHEM_CACTVS_TPSA>
68.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
344.16237386

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
12  14  8
12  16  8
13  15  8
13  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  23  8
20  22  8
21  23  8
6  10  3
7  11  3
8  12  3
9  13  3

$$$$
