-OEChem-03261012002D

  7  6  0     0  0  0  0  0  0999 V2000
   70.0000   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000   50.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000   31.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10536312

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
3971914985

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Butenoic acid, 2-methyl-, (E)-
Crotonic acid, 2-methyl-, (E)-

> <PUBCHEM_XREF_EXT_ID>
3971914985

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C5H8O2/c1-3-4%282%295%286%297/h3H%2C1-2H3%2C%28H%2C6%2C7%29/b4-3%2B%0A

> <PUBCHEM_CID_ASSOCIATIONS>
125468  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$