-OEChem-03261012002D

  7  6  0     0  0  0  0  0  0999 V2000
    7.1228    7.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373    5.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1228    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5833    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    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>
7849722

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMFA01020030

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMFA01020030
alpha,beta-dimethyl acrylic acid; 2-Methyl-2-butenoic acid; (E)-2-methyl-Crotonic acid

> <PUBCHEM_XREF_EXT_ID>
LMFA01020030

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.lipidmaps.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMFA01020030

> <PUBCHEM_CID_ASSOCIATIONS>
125468  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$