-OEChem-06231013072D

 19 21  0     0  0  0  0  0  0999 V2000
    3.5200   -1.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -3.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100   -4.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 11  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
87690917

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20191737

> <PUBCHEM_SUBSTANCE_SYNONYM>
HSMPDPBYAYSOBC-UHFFFAOYSA-
InChI=1/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3

> <PUBCHEM_XREF_EXT_ID>
20191737

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20191737

> <PUBCHEM_CID_ASSOCIATIONS>
3828  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$