5281617
  -OEChem-04242418182D

 33 35  0     0  0  0  0  0  0999 V2000
    6.3981   -0.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    0.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164    2.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -2.1154    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 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 29  1  0  0  0  0
  4  9  2  0  0  0  0
  5 20  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281617

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
424

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone

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

> <PUBCHEM_IUPAC_INCHIKEY>
JPMYFOBNRRGFNO-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=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)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  16  8
10  17  8
11  15  8
13  14  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
6  11  8
6  7  8
6  9  8
7  13  8
8  12  8
9  12  8

$$$$