5281708
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    6.8671    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    1.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  2  0  0  0  0
  3 15  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  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  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 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  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>
5281708

> <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>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASgmAIwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqAcWAl4BUIuYeI7PzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-hydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME>
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-hydroxy-3-(4-hydroxyphenyl)chromone

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

> <PUBCHEM_IUPAC_INCHIKEY>
ZQSIJRDFPHDXIC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
254.057909

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10O4

> <PUBCHEM_MOLECULAR_WEIGHT>
254.2375

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
254.057909

> <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>
10

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$