Mol:LBPR02020037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 51 0 0 0 0 0 0 0 0999 V2000
13.2321 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3660 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5000 2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5000 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3660 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2321 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6340 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6340 5.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5000 5.9689 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
14.0981 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0981 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3660 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6340 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2321 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0981 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0981 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9641 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9641 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8301 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8301 -4.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6962 -5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6962 -6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5622 -6.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5622 -7.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4282 -8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4282 -9.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2942 -9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2942 -10.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1603 -11.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1603 -12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5000 7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5000 7.7010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 9.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 9.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0000 6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 10.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 12.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3660 5.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2321 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5000 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
1 6 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 48 1 0 0 0 0
5 48 1 0 0 0 0
6 10 1 0 0 0 0
1 11 1 0 0 0 0
2 12 1 0 0 0 0
3 13 1 0 0 0 0
9 14 1 4 0 0 0
9 15 1 0 0 0 0
12 49 1 0 0 0 0
12 50 2 0 0 0 0
49 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 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 2 0 0 0 0
27 28 1 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 1 0 0 0 0
15 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 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
35 40 1 4 0 0 0
39 41 1 0 0 0 0
39 42 1 4 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
S SKP 5
ID LBPR02020037
FORMULA C47H80O3
EXACTMASS 692.610746426
AVERAGEMASS 693.1362999999999
SMILES C(C(C)CCCC(C)C)CCC(C)CCCC(O2)(CCc(c21)c(c(C(OCCCCCCCC=CCC=CCCCCC)=O)c(C)c1C)C)C
M END
