-OEChem-03261011583D

 11 11  0     0  0  0  0  0  0999 V2000
   -1.1648   -0.7006    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734    1.7905    2.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9843    2.8738    1.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    1.3829    0.0096 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
   -1.3316    2.1192    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.0888    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8237    2.2489    1.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143   -0.6791   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3774    1.4139   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989    0.0312   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
587955

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
10008771

> <PUBCHEM_SUBSTANCE_SYNONYM>
(2-HYDROXYPHENYL)-ACETIC ACID
(2-hydroxyphenyl)acetic acid
614-75-5
InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11
benzeneacetic acid, 2-hydroxy-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
614-75-5

> <PUBCHEM_XREF_EXT_ID>
10008771

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/10008771

> <PUBCHEM_CID_ASSOCIATIONS>
11970  1

> <PUBCHEM_CONFORMER_ID>
0008F8B300030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$