71540438
  -OEChem-05052422292D

 40 43  0     0  0  0  0  0  0999 V2000
    7.8003    1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2923    1.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2923   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1984   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2808   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1984    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1294   -0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6882    2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4482    2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7341   -0.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6608   -2.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2736   -2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9007   -2.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
  4 40  1  0  0  0  0
  5 20  2  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 23  2  0  0  0  0
 14 25  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 22  2  0  0  0  0
 17 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
 21 24  2  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 26  1  0  0  0  0
 23 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71540438

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
678

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAGgAACAAADASAmAAyDoAABgCIAiDSCAICCAAgIAAIiABGCMgNJyKGMR6CeiClwBUKuQeA4KwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-hydroxy-4-methyl-3-(4-methyl-2-oxo-chromen-7-yl)oxy-chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-hydroxy-4-methyl-3-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-benzopyran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-hydroxy-4-methyl-3-(4-methyl-2-oxochromen-7-yl)oxychromen-2-one

> <PUBCHEM_IUPAC_NAME>
7-hydroxy-4-methyl-3-(4-methyl-2-oxochromen-7-yl)oxychromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-7-oxidanyl-chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-hydroxy-3-(2-keto-4-methyl-chromen-7-yl)oxy-4-methyl-coumarin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H14O6/c1-10-7-18(22)25-17-9-13(4-6-14(10)17)24-19-11(2)15-5-3-12(21)8-16(15)26-20(19)23/h3-9,21H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
IYPKLKSDEZNQRI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
350.07903816

> <PUBCHEM_MOLECULAR_FORMULA>
C20H14O6

> <PUBCHEM_MOLECULAR_WEIGHT>
350.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C4=C(C=C(C=C4)O)OC3=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C4=C(C=C(C=C4)O)OC3=O)C

> <PUBCHEM_CACTVS_TPSA>
82.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.07903816

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  20  8
11  21  8
12  15  8
13  15  8
13  18  8
14  23  8
16  18  8
17  22  8
2  11  8
2  20  8
21  24  8
22  24  8
23  26  8
3  12  8
3  26  8
7  10  8
7  8  8
8  11  8
8  17  8
9  12  8
9  14  8
9  16  8

$$$$