Mol:LBGTGccc:18207HO03:18206SC05:18206SC05

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


67 66  0  0  0  0  0  0  0  0999 V2000 
  -6.8483    2.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0233    2.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8483    1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8483    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8483   -0.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8483   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0960    0.5488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0233   -0.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3454    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6313    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9172    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2029    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4888    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7745    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0604    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3463    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3680    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0821    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3454   -0.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7964    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5105    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2246    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9389    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6530    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3673    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.2927    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5786    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8643    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1502    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4361    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7218    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0077    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2935    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4207    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1348    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8490    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5632    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2774    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9915    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7057    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4199    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1340    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8483    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.2927    0.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3090   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5949   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8808   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1665   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4524   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7382   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0240   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3099   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4043   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1185   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8327   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5468   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2610   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9752   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6893   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4036   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3090   -2.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0814    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.7955    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1177   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8318   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2774    1.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5645    0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 1  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  8  1  0 
 4  7  1  0 
 7  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  2  0 
 9 19  2  0 
18 20  1  0 
20 21  1  0 
21 22  2  0 
22 23  1  0 
23 24  1  0 
24 25  2  0 
 2 26  1  0 
26 27  1  0 
27 28  1  0 
28 29  1  0 
29 30  1  0 
30 31  1  0 
31 32  1  0 
32 33  1  0 
33 34  1  0 
34 35  2  0 
35 36  1  0 
36 37  2  0 
37 38  1  0 
38 39  1  0 
39 40  1  0 
40 41  1  0 
41 42  1  0 
42 43  1  0 
26 44  2  0 
 8 45  1  0 
45 46  1  0 
46 47  1  0 
47 48  1  0 
48 49  1  0 
49 50  1  0 
50 51  1  0 
51 52  1  0 
52 53  1  0 
53 54  2  0 
54 55  1  0 
55 56  1  0 
56 57  2  0 
57 58  1  0 
58 59  1  0 
59 60  2  0 
45 61  2  0 
25 62  1  0 
62 63  1  0 
60 64  1  0 
64 65  1  0 
38 66  1  0 
66 67  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 66 67 M SBL 1 1 65 M SMT 1 OOH M SBV 1 65 0.0000 0.6069 S SKP 5 ID LBGTGccc:18207HO03:18206SC05:18206SC05:01 FORMULA C59H98O8 EXACTMASS 934.726170112 AVERAGEMASS 935.4046199999999 SMILES C(COC(=O)CCCCCCCC=CCC=CCC=CCC)C(CCOC(CCCCCCCC=CC=CC(OO)CCCCC)=O)OC(=O)CCCCCCCC=CCC=CCC=CCC M END