-OEChem-09151010582D

 17 16  0     0  0  0  0  0  0999 V2000
   15.3300  -14.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.9300  -14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3300  -15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7300  -14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3300  -12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9424  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7176  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300  -16.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1549  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5051  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3300  -17.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3673  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2927  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300  -19.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5797  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0803  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3300  -20.2497    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  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  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>
17395439

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C14439

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 126-73-8
ChEBI: 35019
NIKKAJI: J3.623D

> <PUBCHEM_SUBSTANCE_SYNONYM>
126-73-8
C14439
TBP
Tributyl phosphate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
126-73-8

> <PUBCHEM_XREF_EXT_ID>
C14439

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C14439

> <PUBCHEM_CID_ASSOCIATIONS>
31357  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$