11208735
  -OEChem-05112407412D

 36 38  0     0  0  0  0  0  0999 V2000
    6.0682   -2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -2.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712   -2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5744   -1.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013   -0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9544    0.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8424    1.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2224    3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  2  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11208735

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
434

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASgmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqAcWAl4BUIuYeI7PzOIAABCAAIAABAAAIQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3,5-dimethoxyphenyl)-7-hydroxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3,5-dimethoxyphenyl)-7-hydroxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3,5-dimethoxyphenyl)-7-hydroxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
3-(3,5-dimethoxyphenyl)-7-hydroxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(3,5-dimethoxyphenyl)-7-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3,5-dimethoxyphenyl)-7-hydroxy-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14O5/c1-20-12-5-10(6-13(8-12)21-2)15-9-22-16-7-11(18)3-4-14(16)17(15)19/h3-9,18H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WSSNVJXVWRIBQI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
298.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
298.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC

> <PUBCHEM_CACTVS_TPSA>
65

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.08412354

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  10  8
1  13  8
10  17  8
11  16  8
12  15  8
14  19  8
15  18  8
16  18  8
17  20  8
19  20  8
6  13  8
6  9  8
7  11  8
7  12  8
8  10  8
8  14  8
8  9  8

$$$$