
 OpenBabel04291915393D

 22 21  0  0  1  0  0  0  0  0999 V2000
    6.7061   -3.9247    2.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1425   -2.9842    1.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7174   -1.7144    1.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8124   -0.6878    0.7936 S   0  0  2  0  0  0  0  0  0  0  0  0
    5.1811    0.7779    1.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329   -0.9044    1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -2.3793    1.0940 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6102   -2.4815    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912   -3.0358   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972   -3.9612   -0.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899   -2.6166   -1.3458 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3518   -3.0141    2.2304 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0021   -4.8088    1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8526   -3.7791    3.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9960   -3.1297    0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5822   -1.1829    2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.9378    2.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7496   -0.4417    1.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -0.4518    0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8569   -3.0316   -2.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609   -2.9167    2.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1075   -4.0038    2.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  1  0  0  0
  4  6  1  0  0  0  0
  4  3  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  1  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <SKU>
A12016

>  <Product Name>
(+)-Alliin

>  <CAS>
556-27-4

>  <M.Wt>
177.22144

>  <Formula>
C6H11NO3S

>  <Synonyms>
N/A

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

$$$$
