
 OpenBabel04291915423D

 24 24  0  0  1  0  0  0  0  0999 V2000
    0.9710    0.0890    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    0.0890    0.0353 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9310   -0.1119   -1.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -1.4437   -1.8651 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9044   -1.4437   -1.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310   -0.9982    0.8949 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4370   -0.7957    2.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    0.1734    2.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629   -1.6764    3.2459 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8977   -1.6377   -3.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310    1.3770    0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6144    0.8803   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6144    0.2351    1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6144   -0.8486   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   -0.1119   -1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744    0.6794   -1.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810   -2.2350   -1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541   -2.3509   -2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -0.9150   -2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8092   -1.5216    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -0.9203   -3.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744    2.1683   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.3770    0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744    1.5231    1.5452 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 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  CHG  2   2   1   9  -1
M  END
>  <SKU>
A13940

>  <Product Name>
Betonicine

>  <CAS>
515-25-3

>  <M.Wt>
159.18302

>  <Formula>
C7H13NO3

>  <Synonyms>
N/A

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

$$$$
