-OEChem-04131210283D

 17 19  0     0  0  0  0  0  0999 V2000
    3.5681    2.0774   -0.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811    4.2062    0.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1863    2.0778    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085    1.3876   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6053    3.4186   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    3.5541    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    4.1819   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9193    4.0921   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0166    1.3736    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056   -0.0020   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944    3.3374   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9928    5.4868   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094   -0.6873   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3185    3.9732   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2237    6.1094   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3839    5.3554   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
589074

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
10016211

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-phenyl-4H-chromen-4-one
4H-1-benzopyran-4-one, 2-phenyl-
InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10

> <PUBCHEM_XREF_EXT_ID>
10016211

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nmrshiftdb.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/10016211

> <PUBCHEM_CID_ASSOCIATIONS>
10680  1

> <PUBCHEM_CONFORMER_ID>
0008FD1200030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$