
 OpenBabel04291915443D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.1251    2.2370    0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4079    1.0361    0.2745 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0572   -0.0515   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -1.1757   -0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0572   -2.3002   -0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -3.4245   -0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    1.0363    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1078   -4.6337   -1.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3354   -4.6339   -1.2226 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4333   -5.7630   -1.5227 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1771    2.0477    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    2.5562    1.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8674    3.0027   -0.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0892   -0.0517   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538   -1.1755   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0892   -2.3005   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878    1.6407    0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
M  CHG  2   2   1  10  -1
M  END
>  <SKU>
A14825

>  <Product Name>
Trigonelline

>  <CAS>
535-83-1

>  <M.Wt>
137.13598

>  <Formula>
C7H7NO2

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/trigonelline.html

$$$$
