
 OpenBabel04291915423D

 17 17  0  0  1  0  0  0  0  0999 V2000
    0.9363   -0.0058    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.0058    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065   -0.0858    1.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013   -0.1631    2.2058 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2648    0.0800   -1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628    0.0800   -1.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202    0.0888   -1.2031 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6622    1.3529   -1.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5317    2.1818   -2.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807    1.5926   -2.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654    0.0690   -0.9352 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203   -0.0716    0.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158   -0.2357    3.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617   -0.7411   -1.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1544    2.3918   -2.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118    0.8602   -0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9754    0.1342   -1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <SKU>
A14006

>  <Product Name>
Ibotenic Acid

>  <CAS>
2552-55-8

>  <M.Wt>
158.11214

>  <Formula>
C5H6N2O4

>  <Synonyms>
NSC 204850 

>  <URL>
https://www.adooq.com/ibotenic-acid.html

$$$$
