-OEChem-03101014052D

 12 11  0     0  0  0  0  0  0999 V2000
   20.2944  -21.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4893  -21.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5868  -22.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6842  -24.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0996  -24.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1970  -22.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3919  -23.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3919  -22.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4893  -24.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2944  -24.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5868  -23.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1970  -23.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8145317

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:32805

> <PUBCHEM_SUBSTANCE_SYNONYM>
(1Z)-prop-1-ene-1,2,3-tricarboxylic acid
(Z)-1-propene-1,2,3-tricarboxylic acid
CHEBI:32805
cis-1-propene-1,2,3-tricarboxylic acid

> <PUBCHEM_XREF_EXT_ID>
CHEBI:32805

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32805

> <PUBCHEM_CID_ASSOCIATIONS>
643757  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$