145659
  -OEChem-05142406442D

 47 49  0     0  0  0  0  0  0999 V2000
    6.3580   -0.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9846   -2.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -1.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8487   -3.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884   -1.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.5983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862   -1.5667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    0.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.0425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5366   -3.8011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3844   -3.5775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1607   -2.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8964   -1.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266   -0.9642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2805   -0.7340    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 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  2  0  0  0  0
  6 20  1  0  0  0  0
  6 26  1  0  0  0  0
  7 21  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
145659

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
548

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAAAAAADASAmAIyBoAABACIAqBSAAACCAAkIAAIiAEGiMgNJzaENRqCOWKl4BUKqQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
LKMNXYDUQXAUCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
372.12090297

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20O7

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
72.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.12090297

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  9  8
10  16  8
11  14  8
12  16  8
13  18  8
13  19  8
14  17  8
15  17  8
18  20  8
19  22  8
20  21  8
21  22  8
8  11  8
8  12  8
8  9  8
9  15  8

$$$$