-OEChem-09151010582D

 17 16  0     0  0  0  0  0  0999 V2000
   -1.0018    1.2670    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873    0.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163    0.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153    0.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018    2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4272    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028   -0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1452    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8561    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028   -1.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5741    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -2.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
56352893

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:35019

> <PUBCHEM_SUBSTANCE_SYNONYM>
Butyl phosphate
CHEBI:35019
Phosphoric acid tri-n-butyl ester
Phosphoric acid, tributyl ester
TBP
Tri-n-butyl phosphate
Tributyl phosphate
Tributyle (phosphate de)
Tributylphosphat
Tributylphosphate

> <PUBCHEM_XREF_EXT_ID>
CHEBI:35019

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35019

> <PUBCHEM_CID_ASSOCIATIONS>
31357  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$