25200543
  -OEChem-04192417312D

 28 30  0     0  0  0  0  0  0999 V2000
    6.0682   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.7914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    2.2673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2022    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    1.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4835    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 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  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 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
25200543

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
384

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAAwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-hydroxy-4-oxo-2-phenyl-chromen-5-olate

> <PUBCHEM_IUPAC_CAS_NAME>
7-hydroxy-4-oxo-2-phenyl-1-benzopyran-5-olate

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-hydroxy-4-oxo-2-phenylchromen-5-olate

> <PUBCHEM_IUPAC_NAME>
7-hydroxy-4-oxo-2-phenylchromen-5-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-oxidanyl-4-oxidanylidene-2-phenyl-chromen-5-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-hydroxy-4-keto-2-phenyl-chromen-5-olate

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

> <PUBCHEM_IUPAC_INCHIKEY>
RTIXKCRFFJGDFG-UHFFFAOYSA-M

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
253.05008376

> <PUBCHEM_MOLECULAR_FORMULA>
C15H9O4-

> <PUBCHEM_MOLECULAR_WEIGHT>
253.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-]

> <PUBCHEM_CACTVS_TPSA>
69.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.05008376

> <PUBCHEM_TOTAL_CHARGE>
-1

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

$$$$