Mol:LBPR02030010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
58 59 0 0 0 0 0 0 0 0999 V2000
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3205 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1865 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0526 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9186 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7846 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.6506 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3827 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.2487 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.1147 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.9808 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.8468 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7128 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.5788 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.4449 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.3109 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.1769 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.0429 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.9090 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.7750 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.7750 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9186 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3827 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.8468 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.3109 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.6410 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 0 0 0 0
4 7 1 0 0 0 0
1 6 1 0 0 0 0
5 57 2 0 0 0 0
8 58 2 0 0 0 0
10 11 1 0 0 0 0
9 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
18 21 1 0 0 0 0
12 13 1 0 0 0 0
19 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
24 50 1 0 0 0 0
28 51 1 0 0 0 0
32 52 1 0 0 0 0
36 53 1 0 0 0 0
40 54 1 0 0 0 0
44 55 1 0 0 0 0
48 56 1 0 0 0 0
S SKP 5
ID LBPR02030010
FORMULA C56H80O2
EXACTMASS 784.615831804
AVERAGEMASS 785.2332
SMILES CC(=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCc(c2C)c(c(c(c(=O)2)1)cccc1)=O)C)C)CCC=C(C)CCC=C(C)CCC=C(C)C
M END
