9894522
  -OEChem-10112121042D

 67 72  0     0  0  0  0  0  0999 V2000
    6.3580    2.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    5.0702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8324   -1.9612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205    0.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0743   -5.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    4.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9722   -2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    1.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801   -3.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0781   -4.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -3.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884    0.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    3.1282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862    0.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396   -3.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.3457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5183   -3.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.0726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.9987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    2.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860   -0.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3728   -2.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6100   -5.3457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8964    0.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    1.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2805    1.5363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 29  1  0  0  0  0
  3 15  1  0  0  0  0
  3 38  1  0  0  0  0
  4 18  1  0  0  0  0
  4 42  1  0  0  0  0
  5 19  1  0  0  0  0
  5 53  1  0  0  0  0
  6 21  2  0  0  0  0
  7 31  2  0  0  0  0
  8 32  1  0  0  0  0
  8 63  1  0  0  0  0
  9 41  1  0  0  0  0
  9 43  1  0  0  0  0
 10 36  1  0  0  0  0
 10 64  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
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 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
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 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 26  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 30  2  0  0  0  0
 24 25  2  0  0  0  0
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 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
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 29 35  2  0  0  0  0
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 33 39  1  0  0  0  0
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 35 52  1  0  0  0  0
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 37 54  1  0  0  0  0
 38 55  1  0  0  0  0
 38 56  1  0  0  0  0
 38 57  1  0  0  0  0
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 39 58  1  0  0  0  0
 40 41  1  0  0  0  0
 40 59  1  0  0  0  0
 42 60  1  0  0  0  0
 42 61  1  0  0  0  0
 42 62  1  0  0  0  0
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 43 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9894522

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1100

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQfI7PzOoAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_NAME>
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-methoxy-phenyl]-7-methoxy-2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34-35,38H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
RROKRDUARFDCDH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
580.13694696

> <PUBCHEM_MOLECULAR_FORMULA>
C33H24O10

> <PUBCHEM_MOLECULAR_WEIGHT>
580.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC

> <PUBCHEM_CACTVS_TPSA>
141

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
580.13694696

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
43

> <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  13  8
1  22  8
11  13  8
11  15  8
12  16  8
12  18  8
13  14  8
14  19  8
14  21  8
15  20  8
16  17  8
17  24  8
18  25  8
19  20  8
2  23  8
2  29  8
21  26  8
22  26  8
23  30  8
24  25  8
27  33  8
27  34  8
28  29  8
28  31  8
28  32  8
29  35  8
30  31  8
32  37  8
33  39  8
34  40  8
35  36  8
36  37  8
39  41  8
40  41  8

$$$$
