-OEChem-03091113222D

 12 12  0     0  0  0  0  0  0999 V2000
   18.0000   -3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000  -22.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0000  -13.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0000   52.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0000   15.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -13.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.0000   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.0000   43.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   43.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  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>
10380057

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
791959329

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-(4-Morpholino)ethanesulfonic acid
2-(N-Morpholino)ethanesulfonic acid

> <PUBCHEM_XREF_EXT_ID>
791959329

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
78165  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$