629965
  -OEChem-04262418512D

 43 45  0     0  0  0  0  0  0999 V2000
    6.3981   -0.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    2.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -0.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.2123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -1.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    3.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562    3.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4733    2.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.5433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441   -3.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841   -3.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1722    0.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522    2.0146    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 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  1  0  0  0  0
  3 23  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
629965

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
492

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAAAAAADASAmAIyBoAABACIAqBSAAACCAAkIAAIiAEGiMgNJzaENRqCOWKl4BUKqQfK6LyOAQABCAAIQAACAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
PBQMALAAFQMDSP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
342.11033829

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18O6

> <PUBCHEM_MOLECULAR_WEIGHT>
342.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.11033829

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  8  8
1  9  8
10  16  8
10  17  8
11  15  8
12  13  8
14  18  8
15  18  8
16  19  8
17  20  8
19  21  8
20  21  8
7  11  8
7  12  8
7  8  8
8  14  8
9  13  8

$$$$