-OEChem-10311114432D

  5  4  0     0  0  0  0  0  0999 V2000
    0.3572    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24870237

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
464953_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methyl-1,3-butadiene
464953_ALDRICH
Isoprene

> <PUBCHEM_XREF_EXT_ID>
464953_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/464953?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
6557  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$