
 OpenBabel04291915443D

 37 39  0  0  1  0  0  0  0  0999 V2000
    0.9725   -0.0510   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925   -0.0510   -0.0815 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9992   -0.8114   -1.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5192   -0.8114   -1.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0258   -1.5719   -2.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5078   -1.5719   -2.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648   -2.1757   -3.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0542    0.7094    1.1332 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4658    0.7094    1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725    0.0377    2.3991 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4925    0.0377    2.3991 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9992   -0.7228    1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548   -0.5753    3.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -0.0709    4.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232    0.9306    4.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.7091    5.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928   -0.2178    7.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -0.5863   -0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158    0.9571   -0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -0.5239    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425   -0.3386   -2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425   -1.8196   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758   -1.2843   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758    0.1967   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6692   -1.0990   -3.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6692   -2.5800   -2.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1968   -2.1757   -3.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6488   -2.6499   -4.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    0.8779    1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225    0.1741    0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225    1.7176    1.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711   -0.1983    2.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    1.0458    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0692   -0.7228    1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425   -1.7309    1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664   -0.4471    7.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700    0.3974    7.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
>  <SKU>
A14811

>  <Product Name>
Isoalantolactone

>  <CAS>
470-17-7

>  <M.Wt>
232.3181

>  <Formula>
C15H20O2

>  <Synonyms>
N/A

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

$$$$
