5378702
  -OEChem-04232402492D

 41 44  0     0  0  0  0  0  0999 V2000
    4.2864   -2.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    0.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446    2.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8129    1.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0427    0.7477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1767    0.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260   -2.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2947   -1.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0427    1.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1614   -2.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447   -1.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1767    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107    1.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007    0.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926   -0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293   -3.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7293   -3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9088    0.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9527    2.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1606    3.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608    3.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7019   -2.7031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6756   -0.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8545   -1.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1936   -4.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0414   -4.3488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651   -3.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912   -3.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214   -4.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2675   -4.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988   -0.2892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4457   -0.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2188    0.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202    3.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4989    3.6041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0563    4.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3534    2.0483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 16  1  0  0  0  0
  2 40  1  0  0  0  0
  3 15  2  0  0  0  0
  4 21  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5378702

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
560

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACxQAAAHgAACAAADEyBmAQyxoMABgCIAqRSQACCCAAlIAAIiAEPTMgOJ37WtZuGeejn4B3Y+cea/P/OIAADCgAKEABAAAYUABQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,11-dihydroxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one

> <PUBCHEM_IUPAC_CAS_NAME>
6,11-dihydroxy-3,3,12-trimethyl-7-pyrano[2,3-c]acridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,11-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

> <PUBCHEM_IUPAC_NAME>
6,11-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3,12-trimethyl-6,11-bis(oxidanyl)pyrano[2,3-c]acridin-7-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,11-dihydroxy-3,3,12-trimethyl-pyran[2,3-c]acridin-7-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17NO4/c1-19(2)8-7-10-14(24-19)9-13(22)15-17(10)20(3)16-11(18(15)23)5-4-6-12(16)21/h4-9,21-22H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
JZQDCDLYNFZBIG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.5

> <PUBCHEM_EXACT_MASS>
323.11575802

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
323.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C

> <PUBCHEM_CACTVS_TPSA>
70

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.11575802

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  17  8
11  14  8
11  21  8
14  15  8
14  22  8
16  17  8
21  23  8
22  24  8
23  24  8
5  11  8
5  6  8
6  8  8
6  9  8
8  10  8
9  15  8
9  16  8

$$$$
