-OEChem-09151010572D

 17 17  0     1  0  0  0  0  0999 V2000
   -0.7966    1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.1448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6276   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 11  1  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
154748

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000584850

> <PUBCHEM_SUBSTANCE_SYNONYM>
584-85-0
Anserine
EINECS 209-545-0
L-Anserine
L-Histidine, N-beta-alanyl-3-methyl-
N-beta-Alanyl-3-methyl-L-histidine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
584-85-0

> <PUBCHEM_XREF_EXT_ID>
000584850

> <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=000584850

> <PUBCHEM_CID_ASSOCIATIONS>
11444  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$