5280682
  -OEChem-04252413062D

 41 43  0     0  0  0  0  0  0999 V2000
    6.3981   -0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    2.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    1.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164    3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501    2.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    2.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592   -3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.7402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -1.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -0.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842   -0.7335    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 14  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  2  0  0  0  0
  6 22  1  0  0  0  0
  6 25  1  0  0  0  0
  7 20  1  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  1  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 22  2  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>
5280682

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
532

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNR6CeWOl4BULuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7-dimethoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromone

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

> <PUBCHEM_IUPAC_INCHIKEY>
KPCRYSMUMBNTCK-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=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O

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

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

$$$$