Mol:LBPR02020036
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 54 0 0 0 0 0 0 0 0999 V2000
13.2321 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3660 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5000 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5000 1.9689 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
13.2321 1.9689 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
10.6340 3.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5000 3.9689 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
11.0000 4.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0981 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2321 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2321 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6340 0.4689 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
2.0000 8.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 8.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 8.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 7.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.5000 7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0981 -2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0981 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 10.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5000 5.7010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0000 4.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5000 5.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 4.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0000 4.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9641 -4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9641 -5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8301 -5.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8301 -6.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6962 -7.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6962 -8.0311 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
16.6962 -5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8301 -8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8301 -9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6962 -10.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5622 -9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5622 -8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9641 -8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0622 -7.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5622 -8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3660 3.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0981 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3660 -0.5311 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
4 5 1 0 0 0 0
5 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 50 1 0 0 0 0
5 50 1 0 0 0 0
9 10 1 4 0 0 0
1 6 1 0 0 0 0
1 11 1 0 0 0 0
51 12 2 0 0 0 0
12 52 1 0 0 0 0
2 52 1 0 0 0 0
12 13 1 0 0 0 0
3 14 1 0 0 0 0
6 15 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
21 23 1 4 0 0 0
13 24 2 0 0 0 0
24 25 1 0 0 0 0
17 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 4 0 0 0
29 31 1 0 0 0 0
9 32 1 4 0 0 0
10 33 1 0 0 0 0
34 25 2 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 2 0 0 0 0
38 39 1 0 0 0 0
24 40 1 0 0 0 0
36 41 1 0 0 0 0
39 42 2 0 0 0 0
42 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
39 46 1 0 0 0 0
42 47 1 0 0 0 0
46 48 1 0 0 0 0
46 49 1 0 0 0 0
31 33 1 0 0 0 0
S SKP 5
ID LBPR02020036
FORMULA C49H76O3
EXACTMASS 712.579446298
AVERAGEMASS 713.12594
SMILES C(C3)(C)(C)C(=C(CC3)C)C=CC(C)=CC=CC(=CC(=O)Oc(c(C)2)c(C)c(c1c2C)CCC(C)(O1)CCCC(CCCC(C)CCCC(C)C)C)C
M END
