-OEChem-10281115192D

 21 22  0     1  0  0  0  0  0999 V2000
    6.8179   -4.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450   -4.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8877   -4.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -7.1109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606   -7.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545   -6.9440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -5.6752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880   -5.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0635   -6.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4043   -6.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731   -4.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4065   -4.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062   -5.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450   -5.6752    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2572   -6.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606   -4.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999   -5.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6754   -6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606   -6.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450   -7.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 17  2  0  0  0  0
  3 17  1  0  0  0  0
  4 21  2  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24861361

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
345938_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
345938_ALDRICH
N-(3-Indolylacetyl)-DL-aspartic acid

> <PUBCHEM_XREF_EXT_ID>
345938_ALDRICH

> <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/ALDRICH/345938?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
4656408  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$