
 OpenBabel04291915403D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.1808   -2.0362   -1.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8373   -1.4551   -1.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -1.2794   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656   -2.3418    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1123   -3.5635   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -4.5347    0.6762 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563   -3.7175   -1.0675 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2884   -4.8989   -1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -0.0577   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383   -2.1707    1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434   -3.1419    2.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2108   -2.3185   -2.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0511   -0.1078   -2.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6641   -1.3701   -0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7938   -2.1631   -2.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0303   -2.9846   -0.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929   -2.9386   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6299   -5.8392   -1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.8825    0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5344    0.5582   -1.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    0.3013   -2.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2347   -3.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <SKU>
A12865

>  <Product Name>
Cerpegin

>  <CAS>
145887-88-3

>  <M.Wt>
179.17266

>  <Formula>
C9H9NO3

>  <Synonyms>
N/A

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

$$$$
