5320287
  -OEChem-04252409432D

 38 40  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
    5.5320    0.2296    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
    8.1301   -0.2704    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
    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   -1.2704    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
    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
    8.1301    2.3496    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
    8.4592   -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 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3 16  1  0  0  0  0
  3 23  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 21  1  0  0  0  0
  6 24  1  0  0  0  0
  7 20  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 22  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 29  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
M  END
> <PUBCHEM_COMPOUND_CID>
5320287

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
517

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNRqCeWOl4BULuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BWORNNDZQGOKBY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
330.07395278

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14O7

> <PUBCHEM_MOLECULAR_WEIGHT>
330.29

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

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

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.07395278

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

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

$$$$