54681623
  -OEChem-05102413462D

 34 37  0     0  0  0  0  0  0999 V2000
    3.7702    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817   -2.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8395    0.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    2.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    2.3217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.0854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252   -2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484   -2.3854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  1  0  0  0  0
  3 34  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 18 22  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 21 23  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54681623

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
600

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAHgAACAAADAyBmAAwyIMABgCIAiXSWACCCAAhIgAIiAEAbMgIJmbAsZmGcAhm5AHI+QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H11NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h1-10,20H

> <PUBCHEM_IUPAC_INCHIKEY>
JULHLMULLDMMOV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
305.06880783

> <PUBCHEM_MOLECULAR_FORMULA>
C18H11NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
305.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C2=O)C(=CC(=O)O4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C2=O)C(=CC(=O)O4)O

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.06880783

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  20  8
1  8  8
11  17  8
11  18  8
12  15  8
13  16  8
14  19  8
15  16  8
17  21  8
18  22  8
19  20  8
21  23  8
22  23  8
5  10  8
5  6  8
6  12  8
6  7  8
7  13  8
7  8  8
8  9  8
9  10  8
9  14  8

$$$$