
 OpenBabel04291915443D

 19 18  0  0  0  0  0  0  0  0999 V2000
    5.1238   -1.1375   -2.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4065   -0.5270   -0.9340 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0559    0.0247    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    0.5962    1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0559    1.1666    2.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    1.7381    3.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1078   -0.5261   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065    2.3515    4.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    2.3506    4.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4320    2.9256    5.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577    0.0444    0.0789 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.1758   -1.0422   -1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.6516   -2.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -2.1739   -2.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0879    0.0239    0.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3525    0.5969    1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0879    1.1659    2.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -0.8323   -1.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9005    3.3236    5.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  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 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 19  1  0  0  0  0
M  CHG  2   2   1  11  -1
M  END
>  <SKU>
A14814

>  <Product Name>
Trigonelline Hydrochloride

>  <CAS>
6138-41-6

>  <M.Wt>
173.59692

>  <Formula>
C7H8ClNO2

>  <Synonyms>
N/A

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

$$$$
