5320315
  -OEChem-04252404432D

 33 35  0     0  0  0  0  0  0999 V2000
    6.3580   -0.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244   -1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -2.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -1.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.9416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862   -2.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    0.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860   -3.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -0.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921   -2.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 28  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 29  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5320315

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
426

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNJzaGNRqCeWOl4BULuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-6-methoxy-2-phenyl-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-6-methoxy-2-phenyl-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-6-methoxy-2-phenyl-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LKOJGSWUMISDOF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.1

> <PUBCHEM_EXACT_MASS>
284.06847348

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12O5

> <PUBCHEM_MOLECULAR_WEIGHT>
284.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O

> <PUBCHEM_CACTVS_TPSA>
76

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.06847348

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  7  8
1  8  8
10  13  8
11  15  8
12  15  8
14  16  8
14  17  8
16  18  8
17  19  8
18  20  8
19  20  8
6  10  8
6  7  8
6  9  8
7  11  8
8  13  8
9  12  8

$$$$