11574271
  -OEChem-04192415302D

 45 49  0     0  0  0  0  0  0999 V2000
    3.6800   -1.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3422    4.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5172   -4.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881   -0.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4802   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821   -1.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    2.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2401    1.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4321   -1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3461    3.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738   -3.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    2.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4488   -3.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5134   -3.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835    0.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0764   -0.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076    2.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7734    1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630   -1.6435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356   -3.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7863    2.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9893   -3.3524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8780    4.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.1353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    4.0614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 42  1  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
  4 24  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  2  0  0  0  0
 15 32  1  0  0  0  0
 16 22  2  0  0  0  0
 16 33  1  0  0  0  0
 17 23  2  0  0  0  0
 17 34  1  0  0  0  0
 18 25  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 26  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11574271

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
805

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIECAAAAAACBQAAAHgAQCAAADAyhmAIyxoLABgCIAqRSQACCCAAhIgAIiAAGbMgMJiLGsZuGcChm0BHI+YewwPAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9-hydroxy-7-(3-methoxyphenyl)-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
9-hydroxy-7-(3-methoxyphenyl)-6,12-dihydro[1]benzopyrano[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
9-hydroxy-7-(3-methoxyphenyl)-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_NAME>
9-hydroxy-7-(3-methoxyphenyl)-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(3-methoxyphenyl)-9-oxidanyl-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-hydroxy-7-(3-methoxyphenyl)-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H17NO4/c1-27-16-4-2-3-13(9-16)22-18-10-14(25)6-8-20(18)24-23-17-7-5-15(26)11-21(17)28-12-19(22)23/h2-11,24-25H,12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
XOIPOCYAEZPKMF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
371.11575802

> <PUBCHEM_MOLECULAR_FORMULA>
C23H17NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
371.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC(=C1)C2=C3COC4=CC(=O)C=CC4=C3NC5=C2C=C(C=C5)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC(=C1)C2=C3COC4=CC(=O)C=CC4=C3NC5=C2C=C(C=C5)O

> <PUBCHEM_CACTVS_TPSA>
67.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.11575802

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
10  16  8
13  18  8
13  21  8
15  19  8
16  22  8
18  25  8
19  22  8
21  26  8
25  27  8
26  27  8
9  10  8
9  15  8

$$$$