-OEChem-10311114432D

 11 11  0     0  0  0  0  0  0999 V2000
    1.1099    0.1298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200    1.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200    0.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799   -0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799   -1.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200    0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -0.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200   -1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -1.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199   -1.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.7698    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>
24868130

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
444553_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,3-Cresotaldehyde
2-Hydroxy-3-methylbenzaldehyde
3-Methylsalicylaldehyde
444553_ALDRICH

> <PUBCHEM_XREF_EXT_ID>
444553_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/444553?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
522777  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$