5484010
  -OEChem-06302323192D

 61 66  0     0  0  0  0  0  0999 V2000
    6.0290    2.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174    5.1659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7452   -4.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5033   -1.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914    0.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    3.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6431   -2.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8510   -3.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7490   -3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6511   -3.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953    1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594    0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6093   -5.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.9413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    3.9642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3105   -3.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1892   -3.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    3.2238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571    0.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.4413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    2.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570   -0.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438   -2.1693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972   -5.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450   -5.7534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213   -4.9056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9295    0.9051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2 20  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  1  0  0  0  0
  3 52  1  0  0  0  0
  4 18  1  0  0  0  0
  4 53  1  0  0  0  0
  5 19  1  0  0  0  0
  5 54  1  0  0  0  0
  6 23  2  0  0  0  0
  7 34  1  0  0  0  0
  7 41  1  0  0  0  0
  8 32  1  0  0  0  0
  8 57  1  0  0  0  0
  9 31  2  0  0  0  0
 10 40  1  0  0  0  0
 10 61  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 24  1  0  0  0  0
 16 42  1  0  0  0  0
 17 21  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 20 29  2  0  0  0  0
 21 43  1  0  0  0  0
 22 26  2  0  0  0  0
 22 30  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  2  0  0  0  0
 28 33  2  0  0  0  0
 29 31  1  0  0  0  0
 29 47  1  0  0  0  0
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 30 37  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
 33 48  1  0  0  0  0
 34 35  2  0  0  0  0
 35 49  1  0  0  0  0
 36 38  1  0  0  0  0
 36 50  1  0  0  0  0
 37 39  2  0  0  0  0
 37 51  1  0  0  0  0
 38 40  2  0  0  0  0
 38 55  1  0  0  0  0
 39 40  1  0  0  0  0
 39 56  1  0  0  0  0
 41 58  1  0  0  0  0
 41 59  1  0  0  0  0
 41 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5484010

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1060

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQfI7PzOoAACCAAIAABAAAQQABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
TYUMAYSMJLPFAN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
552.10564683

> <PUBCHEM_MOLECULAR_FORMULA>
C31H20O10

> <PUBCHEM_MOLECULAR_WEIGHT>
552.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
163

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
552.10564683

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <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  22  8
11  12  8
11  17  8
12  14  8
13  16  8
13  18  8
14  19  8
14  23  8
15  16  8
15  24  8
17  21  8
18  25  8
19  21  8
2  20  8
2  28  8
20  29  8
22  26  8
23  26  8
24  25  8
27  28  8
27  31  8
27  32  8
28  33  8
29  31  8
30  36  8
30  37  8
32  35  8
33  34  8
34  35  8
36  38  8
37  39  8
38  40  8
39  40  8

$$$$
