11558452
  -OEChem-04292400052D

 32 35  0     0  0  0  0  0  0999 V2000
    6.1621   -0.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3061    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5749   -1.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    0.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0190    2.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9457   -0.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6589    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9679   -0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9460   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3584   -0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6152    0.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280    1.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9832    1.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2526   -1.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3492   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6372    0.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    1.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2698   -1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9668   -0.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1811    2.2582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -0.8783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    0.7426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5554    1.9243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4591   -2.0755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7597   -2.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3588   -0.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588    1.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830    1.4635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412    0.5877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 28  1  0  0  0  0
  4 18  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  2  0  0  0  0
  6 21  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 27  1  0  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11558452

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAEiR9AAAGgAACAAADASAmAIyDsAABkCIAqDSCAACCAAkIAAIiAEGCMgMJzaONRqCe2Cl4BUIuYfL7PzOoAAACAAIAABAAAAQABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10O6/c1-20-8-2-3-9-11(6-8)21-15-13(9)16(19)22-12-5-7(17)4-10(18)14(12)15/h2-6,17-18H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
AAKHRTZXSZBLFQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
298.04773803

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10O6

> <PUBCHEM_MOLECULAR_WEIGHT>
298.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O

> <PUBCHEM_CACTVS_TPSA>
89.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.04773803

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  8  8
10  12  8
10  15  8
11  16  8
12  17  8
14  19  8
15  20  8
16  18  8
17  21  8
18  19  8
2  12  8
2  13  8
20  21  8
7  13  8
7  8  8
7  9  8
8  10  8
9  11  8
9  14  8

$$$$
