10071564
  -OEChem-10112120592D

 53 55  0     0  0  0  0  0  0999 V2000
    6.3580   -0.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    2.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9846   -2.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244   -1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -1.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -0.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166   -2.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    0.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862   -1.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.0727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7443    2.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1220    3.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5044    2.7844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4465   -3.0727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802   -0.8105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1280   -0.5869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9043    0.2609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0966   -2.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7142   -3.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3366   -2.7738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  1  0  0  0  0
  3 27  1  0  0  0  0
  4 19  1  0  0  0  0
  4 28  1  0  0  0  0
  5 20  1  0  0  0  0
  5 29  1  0  0  0  0
  6 17  1  0  0  0  0
  6 34  1  0  0  0  0
  7 16  2  0  0  0  0
  8 23  1  0  0  0  0
  8 30  1  0  0  0  0
  9 25  1  0  0  0  0
  9 31  1  0  0  0  0
 10 24  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 19 20  2  0  0  0  0
 21 23  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  1  0  0  0  0
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 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
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 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10071564

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
667

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAICCAAkIAAAiAFGiMgNJzaGNR6CeWOl4BULuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hydroxy-2-(3-hydroxy-4,5-dimethoxy-phenyl)-3,6,7,8-tetramethoxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3,4-dimethoxy-5-oxidanyl-phenyl)-3,6,7,8-tetramethoxy-5-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hydroxy-2-(3-hydroxy-4,5-dimethoxy-phenyl)-3,6,7,8-tetramethoxy-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H22O10/c1-25-11-8-9(7-10(22)16(11)26-2)15-18(27-3)13(23)12-14(24)19(28-4)21(30-6)20(29-5)17(12)31-15/h7-8,22,24H,1-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
GIEYELPGDHOPHM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
434.12129689

> <PUBCHEM_MOLECULAR_FORMULA>
C21H22O10

> <PUBCHEM_MOLECULAR_WEIGHT>
434.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC

> <PUBCHEM_CACTVS_TPSA>
122

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.12129689

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  13  8
11  12  8
11  16  8
11  17  8
12  14  8
13  15  8
14  19  8
15  16  8
17  20  8
18  21  8
18  22  8
19  20  8
21  23  8
22  24  8
23  25  8
24  25  8

$$$$
