-OEChem-03131213512D

 20 19  0     1  0  0  0  0  0999 V2000
    8.9678   -5.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6857   -3.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9712   -1.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -3.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240   -3.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061   -4.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5352   -4.3716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1028   -4.3716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8208   -3.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386   -5.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2532   -3.9536    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9678   -4.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8208   -3.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2532   -3.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9712   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386   -4.3716    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3890   -3.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240   -3.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9566   -3.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745   -4.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 12  1  0  0  0  0
  3 15  2  0  0  0  0
  4 15  1  0  0  0  0
  5 18  2  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  2  3  0  0  0
 16 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
160164

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
002387715

> <PUBCHEM_SUBSTANCE_SYNONYM>
2387-71-5
Argininosuccinic acid
Argininosuccinic acid,amniotic fluid level
L-Aspartic acid, N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-, (S)-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
2387-71-5

> <PUBCHEM_XREF_EXT_ID>
002387715

> <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=002387715

> <PUBCHEM_CID_ASSOCIATIONS>
16950  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
16  10  6
11  14  5

$$$$