11562090
  -OEChem-05052407312D

 58 61  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
    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
    5.4982    8.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    8.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   15.6015    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
    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
    4.9343    3.6200    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
    1.4022    2.5992    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
    6.6663    2.6200    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
    7.5324    2.1200    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    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662   10.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   12.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662   11.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   11.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    8.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    8.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4982   13.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662   13.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662    8.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4982   14.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662   14.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   14.6015    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
    0.8665    3.9529    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
    5.2634    0.8100    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
    6.6663    0.0000    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
    1.7865    5.4708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   11.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1691   11.2915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632    9.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1691    9.9115    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
    6.0352   12.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   12.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662    7.4815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0352   14.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   14.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4982    7.4815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    7.4815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1691   15.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 45  1  0  0  0  0
  3 11  2  0  0  0  0
  4 16  1  0  0  0  0
  4 50  1  0  0  0  0
  5 29  1  0  0  0  0
  5 56  1  0  0  0  0
  6 30  1  0  0  0  0
  6 57  1  0  0  0  0
  7 36  1  0  0  0  0
  7 58  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 30  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 28 49  1  0  0  0  0
 29 33  1  0  0  0  0
 30 33  2  0  0  0  0
 31 34  1  0  0  0  0
 31 51  1  0  0  0  0
 32 35  2  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 36  2  0  0  0  0
 34 54  1  0  0  0  0
 35 36  1  0  0  0  0
 35 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11562090

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
630

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADASAmAAwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7LzOIAABCAAIAABAAAIQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-2-phenyl-chromen-4-one;5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-2-phenyl-1-benzopyran-4-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dihydroxy-2-phenylchromen-4-one;5-[(<I>E</I>)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-2-phenylchromen-4-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,7-bis(oxidanyl)-2-phenyl-chromen-4-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-2-phenyl-chromone;5-[(E)-2-(4-hydroxyphenyl)vinyl]resorcinol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O4.C14H12O3/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-8,16-17H;1-9,15-17H/b;2-1+

> <PUBCHEM_IUPAC_INCHIKEY>
FEYBJXWDPOMKCH-WLHGVMLRSA-N

> <PUBCHEM_EXACT_MASS>
482.13655304

> <PUBCHEM_MOLECULAR_FORMULA>
C29H22O7

> <PUBCHEM_MOLECULAR_WEIGHT>
482.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O.C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

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

> <PUBCHEM_CACTVS_TPSA>
127

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
482.13655304

> <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>
1

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

$$$$