5281707
  -OEChem-04192423062D

 28 31  0     0  0  0  0  0  0999 V2000
    5.9065   -1.1814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0505    0.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7634    2.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170   -0.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6901   -1.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4033    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123   -0.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    0.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6904   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596   -0.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9970   -1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0936   -0.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3816   -0.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7133    0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942   -0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0142   -2.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9255    1.7163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768   -2.2586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -1.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7912    0.2007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2998    1.3824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035   -2.6174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8840   -2.0460    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 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4 18  1  0  0  0  0
  4 27  1  0  0  0  0
  5 20  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281707

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
411

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAEiR9AAAGgAACAAADASAmAAwDsAABkCIAqDSCAACCAAkIAAIiAEGCMgMJzaONRqCe2Cl4BUIuYfL7PzOoAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,9-dihydroxybenzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,9-dihydroxy-6-benzofuro[3,2-c][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_NAME>
3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,9-dihydroxybenzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H

> <PUBCHEM_IUPAC_INCHIKEY>
ZZIALNLLNHEQPJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
268.03717335

> <PUBCHEM_MOLECULAR_FORMULA>
C15H8O5

> <PUBCHEM_MOLECULAR_WEIGHT>
268.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O

> <PUBCHEM_CACTVS_TPSA>
79.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.03717335

> <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  10  8
1  7  8
10  15  8
11  16  8
13  17  8
14  19  8
15  18  8
16  20  8
17  18  8
19  20  8
2  11  8
2  12  8
6  12  8
6  7  8
6  8  8
7  9  8
8  10  8
8  13  8
9  11  8
9  14  8

$$$$