5319887
  -OEChem-04232403212D

 35 37  0     0  0  0  0  0  0999 V2000
    5.5443   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479    0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479    1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -2.2181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479   -1.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.9781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 28  1  0  0  0  0
  4 17  1  0  0  0  0
  4 21  1  0  0  0  0
  5 18  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 19 27  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5319887

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
350

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEgB9AAAGgAACAAADASAmAIyBsAABkCIAqBSAAACCAAkIAAAiAEGiMgNJzaGNRqCeWOl4BULuYfK7PzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-hydroxy-5-methoxy-phenyl)-6-methoxy-benzofuran-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-5-benzofuranol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol

> <PUBCHEM_IUPAC_NAME>
2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-2-(3-methoxy-5-oxidanyl-phenyl)-1-benzofuran-5-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-hydroxy-5-methoxy-phenyl)-6-methoxy-benzofuran-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O5/c1-19-12-4-9(3-11(17)7-12)14-6-10-5-13(18)16(20-2)8-15(10)21-14/h3-8,17-18H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
GOUSNRMGQRTROZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
286.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
286.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)OC)O

> <PUBCHEM_CACTVS_TPSA>
72.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.08412354

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
1  7  8
1  8  8
10  15  8
10  16  8
11  14  8
12  13  8
13  14  8
15  17  8
16  18  8
17  19  8
18  19  8
6  11  8
6  8  8
6  9  8
7  9  8
8  12  8

$$$$
