-OEChem-08021211332D

 19 18  0     1  0  0  0  0  0999 V2000
   -0.7145   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873    0.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873    0.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -0.9208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6  5  1  1  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  6  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126524700

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB03011

> <PUBCHEM_SUBSTANCE_SYNONYM>
HMDB03011
O-Acetyl-L-serine
O-Acetylserine
O3-Acetyl-L-serine

> <PUBCHEM_XREF_EXT_ID>
HMDB03011

> <PUBCHEM_PUBMED_ID>
7952062

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB03011

> <PUBCHEM_CID_ASSOCIATIONS>
99478  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
6  5  5
6  11  6

$$$$