5281605
  -OEChem-05082423532D

 30 32  0     0  0  0  0  0  0999 V2000
    6.0290   -0.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174    2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953   -1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594   -2.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273   -1.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    0.9416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571   -2.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    0.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570   -3.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630   -2.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5113    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  9  1  0  0  0  0
  2 28  1  0  0  0  0
  3 14  1  0  0  0  0
  3 29  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 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  2  0  0  0  0
 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281605

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
413

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAAwBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNJzaGNRqCeWGl4BUJuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6,7-trihydroxy-2-phenyl-chromone

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

> <PUBCHEM_IUPAC_INCHIKEY>
FXNFHKRTJBSTCS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.7

> <PUBCHEM_EXACT_MASS>
270.05282342

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
270.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O

> <PUBCHEM_CACTVS_TPSA>
87

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.05282342

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$