5280443
  -OEChem-06181302012D

 30 32  0     0  0  0  0  0  0999 V2000
    6.8671    0.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   -2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    1.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1488   -2.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    0.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    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 12  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  2  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 23  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
M  END
> <PUBCHEM_COMPOUND_CID>
5280443

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
411

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAAwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

> <PUBCHEM_IUPAC_INCHIKEY>
KZNIFHPLKGYRTM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.7

> <PUBCHEM_EXACT_MASS>
270.052823

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
270.2369

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

> <PUBCHEM_CACTVS_TPSA>
87

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.052823

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
57

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$