-OEChem-10191113482D

 11 10  0     1  0  0  0  0  0999 V2000
    0.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8725    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8700    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   -0.2500    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>
211695

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000644906

> <PUBCHEM_SUBSTANCE_COMMENT>
Drug / Therapeutic Agent

> <PUBCHEM_SUBSTANCE_SYNONYM>
(+-)-2-Aminooctanoic acid
2-Amino-DL-caprylic acid
2-Aminooctanoic acid
2187-07-7
644-90-6
AI3-15286
Caprylic acid, alpha-amino-
DL-alpha-Aminocaprylic acid
EINECS 211-424-2
EINECS 218-579-5
NSC 20147
Octanoic acid, 2-amino-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
2187-07-7
644-90-6

> <PUBCHEM_XREF_EXT_ID>
000644906

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000644906

> <PUBCHEM_CID_ASSOCIATIONS>
69522  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$