-OEChem-09151010582D

 17 16  0     0  0  0  0  0  0999 V2000
   70.0000   86.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   60.0000  104.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   60.0000   69.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   90.0000   86.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.0000   92.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0000  104.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.0000   52.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  100.0000  104.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000  121.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   60.0000   34.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  120.0000  104.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  121.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  130.0000  121.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  138.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   60.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  150.0000  121.0000    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>
10506168

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
2623568929

> <PUBCHEM_SUBSTANCE_SYNONYM>
TBP
Tributyl phosphate

> <PUBCHEM_XREF_EXT_ID>
2623568929

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C12H27O4P/c1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3/h4-12H2%2C1-3H3%0A

> <PUBCHEM_CID_ASSOCIATIONS>
31357  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$