11572869
  -OEChem-05042404262D

 35 38  0     0  0  0  0  0  0999 V2000
    2.0000   -1.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    4.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   -4.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.1577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -0.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680    2.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601    1.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7520   -1.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -2.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -2.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8334   -3.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520    2.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    0.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -0.4505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -0.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275    3.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934    1.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2829   -1.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151    1.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556   -3.3045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062    3.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3093   -3.2931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    2.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151    2.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1979    4.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 18  1  0  0  0  0
  2 35  1  0  0  0  0
  3 21  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 27  1  0  0  0  0
 15 20  2  0  0  0  0
 15 28  1  0  0  0  0
 16 22  2  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11572869

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
680

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwQIEAAAAAAACBAAAAHgAQCAAADAyhmAIwxoLABgCIAqRSQACCCAAhIgAIiAAGbMgIJiLCsZOGcAhm0BHI+YewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H13NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h2-8,19-20H,1,9H2

> <PUBCHEM_IUPAC_INCHIKEY>
IQTGZSIQDWJUBU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
291.08954328

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
291.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC1=C2COC3=CC(=O)C=CC3=C2NC4=C1C=C(C=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC1=C2COC3=CC(=O)C=CC3=C2NC4=C1C=C(C=C4)O

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.08954328

> <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>
11  14  8
13  18  8
14  19  8
18  19  8
8  11  8
8  13  8

$$$$