-OEChem-10311114432D

  5  4  0     0  0  0  0  0  0999 V2000
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    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>
11533712

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:35194

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-methyl-1,3-butadiene
2-methylbuta-1,3-diene
2-methylbutadiene
2-methyldivinyl
CH2=C(CH3)CH=CH2
CHEBI:35194
Isopren
beta-methylbivinyl
isopentadiene
isoprene
isopreno
isoterpene

> <PUBCHEM_XREF_EXT_ID>
CHEBI:35194

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35194

> <PUBCHEM_CID_ASSOCIATIONS>
6557  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$