-OEChem-10311114432D

  5  4  0     0  0  0  0  0  0999 V2000
   12.3200  -11.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5324  -11.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1076  -11.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200   -9.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7279  -11.0696    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>
51090850

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C16521

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00900+C16521">map00900</a> Terpenoid backbone biosynthesis
Is a reactant of enzyme EC: 4.2.3.27

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methyl-1,3-butadiene
78-79-5
C16521
Isoprene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
78-79-5

> <PUBCHEM_XREF_EXT_ID>
C16521

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C16521

> <PUBCHEM_CID_ASSOCIATIONS>
6557  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$