5316145
  -OEChem-10112120502D

 64 69  0     0  0  0  0  0  0999 V2000
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   10.3984    1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8788    2.8050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5381    0.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5323    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3984   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1208   -1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304   -0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6663   -0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4712   -1.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
5316145

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1060

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNJzaGNRqCeWOl4BULuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[4-(5,7-dihydroxy-4-oxo-chromen-2-yl)phenoxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-[4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)phenoxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_NAME>
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenoxy]-7-methoxy-2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[4-(5,7-dihydroxy-4-keto-chromen-2-yl)phenoxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H22O10/c1-38-19-7-3-16(4-8-19)25-14-23(36)30-27(42-25)15-28(39-2)32(31(30)37)40-20-9-5-17(6-10-20)24-13-22(35)29-21(34)11-18(33)12-26(29)41-24/h3-15,33-34,37H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
XLXOFHHXAZAIHM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
566.12129689

> <PUBCHEM_MOLECULAR_FORMULA>
C32H22O10

> <PUBCHEM_MOLECULAR_WEIGHT>
566.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O

> <PUBCHEM_CACTVS_TPSA>
141

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
566.12129689

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <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  16  8
11  12  8
11  14  8
11  18  8
12  17  8
13  14  8
13  15  8
15  17  8
16  20  8
18  20  8
19  26  8
19  27  8
21  28  8
22  34  8
22  35  8
23  25  8
23  29  8
23  32  8
24  30  8
24  31  8
25  33  8
26  30  8
27  31  8
28  29  8
3  21  8
3  25  8
32  37  8
33  36  8
34  38  8
35  39  8
36  37  8
38  40  8
39  40  8

$$$$
