-OEChem-05171211433D

 10 10  0     0  0  0  0  0  0999 V2000
    3.5808    2.0725   -0.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676   -0.6977    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    4.1567    0.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1886    2.0899    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    1.3923   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    1.3770    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
    2.4063    0.0057   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -0.6876   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783    3.5577    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
840419

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20035549

> <PUBCHEM_SUBSTANCE_SYNONYM>
1194-98-5
2,5-dihydroxybenzaldehyde
InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10
benzaldehyde, 2,5-dihydroxy-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1194-98-5

> <PUBCHEM_XREF_EXT_ID>
20035549

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20035549

> <PUBCHEM_CID_ASSOCIATIONS>
70949  1

> <PUBCHEM_CONFORMER_ID>
000CD2E300030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$