5281695
  -OEChem-05062404532D

 41 43  0     0  0  0  0  0  0999 V2000
    6.3981   -0.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.5988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    2.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -1.7354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.6946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164    2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501    2.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    2.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703   -1.0695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1082   -2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -3.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3482   -2.9254    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 16  1  0  0  0  0
  3 24  1  0  0  0  0
  4 13  1  0  0  0  0
  4 31  1  0  0  0  0
  5 12  2  0  0  0  0
  6 17  1  0  0  0  0
  6 35  1  0  0  0  0
  7 22  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  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
M  END
> <PUBCHEM_COMPOUND_CID>
5281695

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
524

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNR6CeWOl4BULuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
DWZAJFZEYZIHPO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
344.08960285

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16O7

> <PUBCHEM_MOLECULAR_WEIGHT>
344.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC

> <PUBCHEM_CACTVS_TPSA>
94.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
344.08960285

> <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  10  8
1  9  8
10  11  8
11  12  8
13  16  8
14  18  8
14  19  8
15  17  8
16  17  8
18  20  8
19  21  8
20  22  8
21  22  8
8  12  8
8  13  8
8  9  8
9  15  8

$$$$