5281694
  -OEChem-09272320542D

 58 63  0     0  0  0  0  0  0999 V2000
   13.0244   -1.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644    1.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    2.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0128    1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -2.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3868   -2.8271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8003    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0244    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9304   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9304    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9343   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0682   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7907   -2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6625   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6548   -2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5266   -1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5227   -2.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644   -1.9129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4662    0.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3154    1.3617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013    2.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2525   -2.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9249   -2.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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  8 31  2  0  0  0  0
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  9 57  1  0  0  0  0
 10 40  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
5281694

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1050

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADASAmAAwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQfI7PzOoAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_NAME>
6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H

> <PUBCHEM_IUPAC_INCHIKEY>
BORWSEZUWHQTOK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
538.08999677

> <PUBCHEM_MOLECULAR_FORMULA>
C30H18O10

> <PUBCHEM_MOLECULAR_WEIGHT>
538.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
174

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
538.08999677

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <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>
994

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  15  8
1  24  8
11  14  8
11  17  8
12  18  8
12  20  8
13  14  8
13  15  8
13  22  8
15  19  8
16  18  8
16  23  8
17  19  8
2  21  8
2  28  8
20  25  8
21  29  8
22  26  8
23  25  8
24  26  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

$$$$