68816707
  -OEChem-04232414242D

 56 60  0     0  0  0  0  0  0999 V2000
    4.0682    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    9.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3199    5.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350   12.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    4.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   10.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   10.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    9.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350   11.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    3.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   11.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    9.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   11.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   10.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2331   10.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    8.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5324    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5324    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0991    9.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2331    8.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0991    8.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    1.4654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380   11.4216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    3.9529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822   12.2662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822    8.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332   11.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332    9.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2331   10.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    8.3016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6360    9.9216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2331    7.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6360    8.3016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865    5.4708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 13  1  0  0  0  0
  3 55  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  1  0  0  0  0
  5 56  1  0  0  0  0
  6 19  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 17  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 23  2  0  0  0  0
 12 25  2  0  0  0  0
 12 26  1  0  0  0  0
 13 22  1  0  0  0  0
 14 24  2  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 17 38  1  0  0  0  0
 18 29  2  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  1  0  0  0  0
 23 41  1  0  0  0  0
 24 28  1  0  0  0  0
 24 42  1  0  0  0  0
 25 31  1  0  0  0  0
 25 43  1  0  0  0  0
 26 32  2  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 34  1  0  0  0  0
 29 47  1  0  0  0  0
 30 35  2  0  0  0  0
 30 48  1  0  0  0  0
 31 33  2  0  0  0  0
 31 49  1  0  0  0  0
 32 33  1  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
 34 36  2  0  0  0  0
 34 52  1  0  0  0  0
 35 36  1  0  0  0  0
 35 53  1  0  0  0  0
 36 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68816707

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
709

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADASAmAAwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuYeI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-2-phenyl-chromen-4-one;2-phenylchromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-2-phenyl-1-benzopyran-4-one;2-phenyl-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,7-bis(oxidanyl)-2-phenyl-chromen-4-one;2-phenylchromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-2-phenyl-chromone;flavone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O4.C15H10O2/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-8,16-17H;1-10H

> <PUBCHEM_IUPAC_INCHIKEY>
KLKLLWSQMAVJPN-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
476.12598835

> <PUBCHEM_MOLECULAR_FORMULA>
C30H20O6

> <PUBCHEM_MOLECULAR_WEIGHT>
476.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

> <PUBCHEM_CACTVS_TPSA>
93.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
476.12598835

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  8  8
1  9  8
10  15  8
11  14  8
11  19  8
11  23  8
12  25  8
12  26  8
13  22  8
14  24  8
16  21  8
17  20  8
18  29  8
18  30  8
19  21  8
2  14  8
2  16  8
20  22  8
23  27  8
24  28  8
25  31  8
26  32  8
27  28  8
29  34  8
30  35  8
31  33  8
32  33  8
34  36  8
35  36  8
7  10  8
7  13  8
7  8  8
8  17  8
9  15  8

$$$$