
 OpenBabel04291915443D

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.9427    0.0760   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0760   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    1.1315   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877    1.1315   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6779    1.1315   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459    1.1315   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2360    1.1315   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6420    1.1315   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2990    2.1870   -0.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7430    2.1870   -0.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4145    3.2657   -1.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7574    3.2657   -1.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4289    4.3444   -1.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3703    1.1793   -0.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860   -0.8597    0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    0.2173   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    0.8704    0.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9407   -0.7530    0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5657    1.9604   -0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1580    0.3025   -0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    3.0159   -1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8985    4.0946   -1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    2.4367   -0.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9534    5.1687   -2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  3  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  3  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <SKU>
A14776

>  <Product Name>
Atractylodin

>  <CAS>
55290-63-6

>  <M.Wt>
182.2179

>  <Formula>
C13H10O

>  <Synonyms>
N/A

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

$$$$
