54713255
  -OEChem-04192421412D

 44 48  0     0  0  0  0  0  0999 V2000
    5.5022    1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138   -2.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0382    0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461    2.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1441    2.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -2.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -2.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5715    0.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    2.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1418    3.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4573   -2.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.0991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740   -2.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9804   -2.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -3.1409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632   -0.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632   -2.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -3.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.7438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -2.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 38  1  0  0  0  0
  3 10  2  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 24  1  0  0  0  0
 20 34  1  0  0  0  0
 21 25  2  0  0  0  0
 21 35  1  0  0  0  0
 22 27  1  0  0  0  0
 22 36  1  0  0  0  0
 23 28  2  0  0  0  0
 23 37  1  0  0  0  0
 24 26  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 29  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54713255

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
755

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBUAAAHgAACAAADAyBmAAwyIMABgCIAiXSWACCCAAhIgAIiAEAbMgIJnbAtZmGcAhm5AHI+QeYyKCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-3,6-diphenyl-pyrano[3,2-c]quinoline-2,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-3,6-diphenylpyrano[3,2-c]quinoline-2,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-3,6-diphenylpyrano[3,2-c]quinoline-2,5-dione

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-3,6-diphenylpyrano[3,2-c]quinoline-2,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-oxidanyl-3,6-diphenyl-pyrano[3,2-c]quinoline-2,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-3,6-diphenyl-pyrano[3,2-c]quinoline-2,5-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H15NO4/c26-21-19(15-9-3-1-4-10-15)24(28)29-22-17-13-7-8-14-18(17)25(23(27)20(21)22)16-11-5-2-6-12-16/h1-14,26H

> <PUBCHEM_IUPAC_INCHIKEY>
WQQHFBAGXIRQKT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
381.10010796

> <PUBCHEM_MOLECULAR_FORMULA>
C24H15NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
381.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C(C3=C(C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)OC2=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C(C3=C(C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)OC2=O)O

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.10010796

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  16  8
1  9  8
11  13  8
12  20  8
12  21  8
13  16  8
14  18  8
15  19  8
17  22  8
17  23  8
18  19  8
20  24  8
21  25  8
22  27  8
23  28  8
24  26  8
25  26  8
27  29  8
28  29  8
5  10  8
5  6  8
6  14  8
6  7  8
7  15  8
7  9  8
8  10  8
8  11  8
8  9  8

$$$$