71540437
  -OEChem-04262414152D

 37 40  0     0  0  0  0  0  0999 V2000
    8.1421   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -1.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    1.9746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9123   -1.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059   -2.5946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    0.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1305    1.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482   -1.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -2.1454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    1.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5839    0.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7505    1.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1234    2.1292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5106    1.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -2.1454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    2.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  1  0  0  0  0
  3 36  1  0  0  0  0
  4 16  1  0  0  0  0
  4 37  1  0  0  0  0
  5 23  2  0  0  0  0
  6 25  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 15 22  1  0  0  0  0
 16 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 23  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 24  2  0  0  0  0
 22 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71540437

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
638

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAGgAACAAADASAmAAyDoAABgCIAiDSCAACCAAgIAAIiAAGCMgMJyKGMRqCeiClwBUIuYfA4PwOoAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-hydroxy-6-(7-hydroxy-2-oxo-chromen-8-yl)-4-methyl-chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-hydroxy-6-(7-hydroxy-2-oxo-1-benzopyran-8-yl)-4-methyl-1-benzopyran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-hydroxy-6-(7-hydroxy-2-oxochromen-8-yl)-4-methylchromen-2-one

> <PUBCHEM_IUPAC_NAME>
7-hydroxy-6-(7-hydroxy-2-oxochromen-8-yl)-4-methylchromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-7-oxidanyl-6-(7-oxidanyl-2-oxidanylidene-chromen-8-yl)chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-hydroxy-6-(7-hydroxy-2-keto-chromen-8-yl)-4-methyl-coumarin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H12O6/c1-9-6-17(23)24-15-8-14(21)12(7-11(9)15)18-13(20)4-2-10-3-5-16(22)25-19(10)18/h2-8,20-21H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ACBKROMAKXQEEC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
336.06338810

> <PUBCHEM_MOLECULAR_FORMULA>
C19H12O6

> <PUBCHEM_MOLECULAR_WEIGHT>
336.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)OC2=CC(=C(C=C12)C3=C(C=CC4=C3OC(=O)C=C4)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)OC2=CC(=C(C=C12)C3=C(C=CC4=C3OC(=O)C=C4)O)O

> <PUBCHEM_CACTVS_TPSA>
93.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.06338810

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  12  8
1  23  8
11  15  8
12  17  8
13  17  8
14  20  8
15  18  8
15  22  8
16  19  8
18  19  8
2  11  8
2  25  8
20  23  8
22  24  8
24  25  8
7  10  8
7  13  8
8  11  8
8  16  8
9  10  8
9  12  8
9  14  8

$$$$