-OEChem-10191113482D

 11 10  0     1  0  0  0  0  0999 V2000
  121.0000   50.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  138.0000   20.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  104.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  104.0000   20.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  121.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   86.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10531601

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
2226804492

> <PUBCHEM_SUBSTANCE_SYNONYM>
dl-.alpha.-Amino-n-caprylic acid
dl-2-Aminocaprylic acid

> <PUBCHEM_XREF_EXT_ID>
2226804492

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C8H17NO2/c1-2-3-4-5-6-7%289%298%2810%2911/h7H%2C2-6%2C9H2%2C1H3%2C%28H%2C10%2C11%29%0A

> <PUBCHEM_CID_ASSOCIATIONS>
69522  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$