artemotil
  CDK     0223171736
null
 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0601   -5.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601   -4.5507    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6552   -4.1377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7753   -4.1395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6533   -3.3079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3686   -4.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4305   -4.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7753   -3.3116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619   -2.8967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3667   -2.8967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3492   -2.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0838   -4.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857   -4.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619   -2.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0838   -3.3079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8129   -1.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7409   -4.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2516   -1.3085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0795   -1.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619   -3.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -4.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0 
  3  2  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  3  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3 25  1  6  0  0  0 
  4  7  1  1  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
 10  5  1  0  0  0  0 
  5 11  1  6  0  0  0 
  6 12  1  0  0  0  0 
  7 13  1  0  0  0  0 
  9  8  1  0  0  0  0 
  9 14  1  0  0  0  0 
  9 23  1  1  0  0  0 
 10 15  1  0  0  0  0 
 10 16  1  0  0  0  0 
 10 24  1  6  0  0  0 
 11 17  1  0  0  0  0 
 16 12  1  0  0  0  0 
 13 18  1  0  0  0  0 
 19 14  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 21  1  6  0  0  0 
 19 17  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 22  1  6  0  0  0 
M  END
> <ID>
CHEBI:135335

> <NAME>
artemotil

> <STAR>
2

> <SYNONYM>
dihydroqinghaosu ethyl ether; dihydroartemisinin ethyl ether; arteether

> <FORMULA>
C17H28O5

> <MASS>
312.402

> <MONOISOTOPIC_MASS>
312.19367

> <CHARGE>
0

> <SMILES>
C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1OCC)(O[C@](OO3)(CC[C@]4([C@@H](CC2)C)[H])C)[H])[H]

> <INCHI>
InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1

> <INCHIKEY>
NLYNIRQVMRLPIQ-XQLAAWPRSA-N

> <CAS_REGISTRY_NUMBER>
75887-54-6

$$$$