184116
  -OEChem-04232402442D

 36 39  0     0  0  0  0  0  0999 V2000
    3.7782    1.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5442    2.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1630    0.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1118   -1.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3903   -1.9391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421    0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2814   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3829   -2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    1.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.5968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7629   -2.9345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3783   -3.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0029   -2.9437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.1093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    2.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3866    2.5964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    3.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467    2.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2 17  1  0  0  0  0
  2 33  1  0  0  0  0
  3 14  2  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  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 11  1  0  0  0  0
  9 18  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 18 21  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
184116

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
521

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAADxVAAAHgAACAAADAyBmAYyxsMABgCIAqVSUACCCAAlIgAIiAGO7MgNJjLGtbuEcStkxhHL+Ye+3fPe6AADQAAaQADQAAaAADSAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione

> <PUBCHEM_IUPAC_CAS_NAME>
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0<SUP>2,7</SUP>.0<SUP>13,17</SUP>]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione

> <PUBCHEM_IUPAC_NAME>
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
16-methoxy-10-methyl-15-oxidanyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JGDZUWXHWYXMSD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
307.08445790

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
307.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C(=O)C1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C(=O)C1=O

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.08445790

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  12  8
11  19  8
13  17  8
15  17  8
18  21  8
19  22  8
21  22  8
6  10  8
6  7  8
6  8  8
7  13  8
7  9  8
8  12  8
9  11  8
9  18  8

$$$$
