10265117
  -OEChem-09292208502D

 30 33  0     0  0  0  0  0  0999 V2000
    6.2081   -1.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917    1.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081    0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4007    0.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.9855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.2198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -1.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9817   -2.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6017    0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6017   -2.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1017    1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1017   -1.1714    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  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10265117

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
362

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgB9AAAGgAACAAADASAmAMwDsAABkCIAqBSAAACCAAkIAAIiAEGiMgdJzaGNRqieWKl4BUOuYfK7PzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-furo[2,3-f][1,3]benzodioxol-6-ylbenzene-1,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
4-(6-furo[2,3-f][1,3]benzodioxolyl)benzene-1,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-furo[2,3-f][1,3]benzodioxol-6-ylbenzene-1,3-diol

> <PUBCHEM_IUPAC_NAME>
4-furo[2,3-f][1,3]benzodioxol-6-ylbenzene-1,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-furo[2,3-f][1,3]benzodioxol-6-ylbenzene-1,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-furo[2,3-f][1,3]benzodioxol-6-ylresorcinol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O5/c16-9-1-2-10(11(17)5-9)13-3-8-4-14-15(19-7-18-14)6-12(8)20-13/h1-6,16-17H,7H2

> <PUBCHEM_IUPAC_INCHIKEY>
UACAJEAOMACMMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
270.05282342

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
270.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1OC2=C(O1)C=C3C(=C2)C=C(O3)C4=C(C=C(C=C4)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1OC2=C(O1)C=C3C(=C2)C=C(O3)C4=C(C=C(C=C4)O)O

> <PUBCHEM_CACTVS_TPSA>
72.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.05282342

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  13  8
14  16  8
14  17  8
16  18  8
17  19  8
18  20  8
19  20  8
6  11  8
6  12  8
6  7  8
7  13  8
8  11  8
9  10  8
9  12  8

$$$$
