6710754
  -OEChem-04232403112D

 43 45  0     0  0  0  0  0  0999 V2000
    6.3580   -1.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    1.7709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884    2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -1.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862    2.0683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860    2.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921    2.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5600   -1.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061   -1.5408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1759   -0.6948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4 15  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  2  0  0  0  0
  6 17  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  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>
6710754

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
504

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAAAAAADASgmAIyBoAABACIAqBSAAACCAAkIAAIiAEGiMgNJzaENRqAMWIl4BUKqYfK7PzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6,7-trimethoxy-3-(2-methoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_NAME>
5,6,7-trimethoxy-3-(2-methoxyphenyl)chromen-4-one

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
LMYDKXXEPYRDDD-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=CC=CC=C1C2=COC3=CC(=C(C(=C3C2=O)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1C2=COC3=CC(=C(C(=C3C2=O)OC)OC)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  16  8
1  8  8
11  13  8
12  17  8
12  18  8
13  15  8
14  15  8
17  19  8
18  20  8
19  21  8
20  21  8
7  10  8
7  11  8
7  8  8
8  14  8
9  10  8
9  16  8

$$$$
