132068
  -OEChem-10112120512D

 36 38  0     0  0  0  0  0  0999 V2000
    6.0812   -0.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    1.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648   -0.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    1.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -1.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -0.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548   -1.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548    1.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1855    2.7983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    2.8457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626    1.9702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3548    2.1537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3548   -2.3843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -1.2913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748   -1.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7018   -0.6713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4 16  1  0  0  0  0
  4 31  1  0  0  0  0
  5 17  1  0  0  0  0
  5 32  1  0  0  0  0
  6 18  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 19  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132068

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEgB9AAAGgAACAAADASAmAIyBsAABkCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNR6CeWOl4BULuYfK7PzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(5-hydroxy-3-methoxy-benzofuran-2-yl)-2-methoxy-benzene-1,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
5-(5-hydroxy-3-methoxy-2-benzofuranyl)-2-methoxybenzene-1,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(5-hydroxy-3-methoxy-1-benzofuran-2-yl)-2-methoxybenzene-1,3-diol

> <PUBCHEM_IUPAC_NAME>
5-(5-hydroxy-3-methoxy-1-benzofuran-2-yl)-2-methoxybenzene-1,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methoxy-5-(3-methoxy-5-oxidanyl-1-benzofuran-2-yl)benzene-1,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(5-hydroxy-3-methoxy-benzofuran-2-yl)-2-methoxy-resorcinol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O6/c1-20-15-10-7-9(17)3-4-13(10)22-14(15)8-5-11(18)16(21-2)12(19)6-8/h3-7,17-19H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
CAEHKJSYOQDIJH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
302.07903816

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O6

> <PUBCHEM_MOLECULAR_WEIGHT>
302.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1O)C2=C(C3=C(O2)C=CC(=C3)O)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1O)C2=C(C3=C(O2)C=CC(=C3)O)OC)O

> <PUBCHEM_CACTVS_TPSA>
92.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.07903816

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
15

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  10  8
1  7  8
10  13  8
11  14  8
11  15  8
12  16  8
13  19  8
14  18  8
15  17  8
16  19  8
17  20  8
18  20  8
7  9  8
8  10  8
8  12  8
8  9  8

$$$$
