-OEChem-08271216082D

 18 20  0     1  0  0  0  0  0999 V2000
    3.9200   -2.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9200   -4.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -3.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700   -3.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700   -2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -2.5200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9200   -3.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -3.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6300   -2.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600   -3.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600   -1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600   -3.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600   -2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4900   -2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6300   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3400   -2.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4900   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3400   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  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
  7  8  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
114917533

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20209224

> <PUBCHEM_SUBSTANCE_SYNONYM>
6-hydroxy-2-phenylchroman-4-one
InChI=1/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2
XYHWPQUEOOBIOW-UHFFFAOYSA-

> <PUBCHEM_XREF_EXT_ID>
20209224

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20209224

> <PUBCHEM_CID_ASSOCIATIONS>
2734580  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$