-OEChem-03091113222D

 12 12  0     0  0  0  0  0  0999 V2000
    6.2272   -4.5423    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0536   -4.5423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2272   -3.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4008   -4.5423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -8.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -6.6104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2272   -5.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -5.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326   -7.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8006   -7.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326   -7.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8006   -7.8535    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>
24896867

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
M3671_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-(N-Morpholino)ethanesulfonic acid
4-Morpholineethanesulfonic acid
M3671_SIGMA
MES

> <PUBCHEM_XREF_EXT_ID>
M3671_SIGMA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIGMA/M3671?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
78165  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$