Mol:LBF20408AM02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 29 0 0 0 0 0 0 0 0999 V2000
-4.9592 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9592 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1342 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1342 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4206 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7070 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8820 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3717 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1682 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4546 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3704 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4206 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7070 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9932 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2796 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5656 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2789 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3871 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8161 0.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4345 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0848 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7993 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5015 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6682 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5138 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2282 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9427 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6572 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
2 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
2 8 1 0 0 0 0
1 8 1 0 0 0 0
9 7 1 0 0 0 0
9 10 1 0 0 0 0
11 10 2 0 0 0 0
3 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
11 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
23 26 1 0 0 0 0
26 27 1 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
S SKP 5
ID LBF20408AM02
FORMULA C27H47NO2
EXACTMASS 417.360679753
AVERAGEMASS 417.66762
SMILES C(C=CC(C)(C)CCCCCC)C=CCC=CCC=CCCCC(=O)NC(CO)C
M END
