12303802
  -OEChem-05072406482D

 48 50  0     0  0  0  0  0  0999 V2000
    6.3981   -0.1754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    2.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -1.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.9446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    1.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164    3.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501    2.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    2.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842   -0.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -0.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042    0.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201   -2.6385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -3.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4401   -3.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1082   -2.6754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -3.2954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3482   -2.6754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.8352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.2410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 20  1  0  0  0  0
  4 26  1  0  0  0  0
  5 21  1  0  0  0  0
  5 27  1  0  0  0  0
  6 22  1  0  0  0  0
  6 28  1  0  0  0  0
  7 17  1  0  0  0  0
  7 33  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 23 32  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12303802

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
577

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAICCAAkIAAAiAFGiMgNJzaGNR6CeWKl4BUKuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_NAME>
5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
SUNUQCQIFHHEOW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
388.11581759

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20O8

> <PUBCHEM_MOLECULAR_WEIGHT>
388.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O

> <PUBCHEM_CACTVS_TPSA>
92.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
388.11581759

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  12  8
1  9  8
10  12  8
10  14  8
10  17  8
11  15  8
11  16  8
12  18  8
13  14  8
15  20  8
16  19  8
17  23  8
18  22  8
19  21  8
20  21  8
22  23  8
9  13  8

$$$$