-OEChem-09151010582D

 21 20  0     1  0  0  0  0  0999 V2000
    3.4750   -4.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -5.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7555   -2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8224   -4.8161    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1125   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901   -4.8089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850   -4.6381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956   -3.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8958   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1083   -4.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6283   -4.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -4.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3375   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283   -3.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956   -4.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850   -5.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708   -3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833   -2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 16  1  0  0  0  0
  3 18  2  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
 13  8  1  6  0  0  0
  8 18  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  2  0  0  0  0
 10 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2   4  -1  11   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24890509

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
A1131_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
A1131_SIGMA
L-Anserine nitrate salt
beta-Ala-3-methyl-His nitrate salt
beta-Alanyl-3-methyl-L-histidine nitrate salt

> <PUBCHEM_XREF_EXT_ID>
A1131_SIGMA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIGMA/A1131?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
112071  1
944  2
112072  2

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
13  8  6

$$$$