5282073
  -OEChem-05042410192D

 29 31  0     0  0  0  0  0  0999 V2000
    6.0682   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3 13  1  0  0  0  0
  3 28  1  0  0  0  0
  4 19  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 16  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  2  0  0  0  0
 15 24  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 19  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5282073

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
382

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAAwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuYeI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H

> <PUBCHEM_IUPAC_INCHIKEY>
LCAWNFIFMLXZPQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.3

> <PUBCHEM_EXACT_MASS>
254.05790880

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10O4

> <PUBCHEM_MOLECULAR_WEIGHT>
254.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
254.05790880

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  6  8
1  7  8
11  16  8
12  13  8
13  16  8
14  17  8
15  18  8
17  19  8
18  19  8
5  11  8
5  6  8
5  9  8
6  12  8
7  10  8
8  14  8
8  15  8
9  10  8

$$$$