-OEChem-05171211432D

 11 11  0     0  0  0  0  0  0999 V2000
    1.4110    0.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006    1.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -1.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003   -0.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045   -1.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746    1.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  7  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  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24893347

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
D108200_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,5-Dihydroxybenzaldehyde
D108200_ALDRICH
Gentisaldehyde

> <PUBCHEM_XREF_EXT_ID>
D108200_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/D108200?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
70949  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$