-OEChem-06231013072D

 13 13  0     0  0  0  0  0  0999 V2000
    3.9900   -1.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200   -0.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200   -1.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -3.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -2.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8700   -1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7400   -1.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
87691507

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20200174

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-hydroxyethyl 2-hydroxybenzoate
InChI=1/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2
LVYLCBNXHHHPSB-UHFFFAOYSA-

> <PUBCHEM_XREF_EXT_ID>
20200174

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20200174

> <PUBCHEM_CID_ASSOCIATIONS>
6880  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$