-OEChem-10311114432D

 11 11  0     0  0  0  0  0  0999 V2000
   10.5492  -11.2418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5491   -8.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8348  -10.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8348  -10.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1203  -11.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5491   -9.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1203   -9.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4058  -10.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4058  -10.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1204  -12.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2636  -10.0043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
49658717

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:20110

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-hydroxy-3-methylbenzaldehyde
3-methyl-2-hydroxybenzaldehyde
3-methylsalicylic aldehyde
CHEBI:20110

> <PUBCHEM_XREF_EXT_ID>
CHEBI:20110

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:20110

> <PUBCHEM_CID_ASSOCIATIONS>
522777  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$