Mol:LBF20406PH01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 28 0 0 0 0 0 0 0 0999 V2000
-5.2408 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2408 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4158 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4158 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7022 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9886 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7022 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9886 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4499 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6533 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7363 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4499 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7363 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0227 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6909 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4045 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0227 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6909 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4050 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6909 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0758 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7866 0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6116 0.3133 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.0241 1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6533 0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6111 -0.5117 0.0000 O 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
6 10 2 0 0 0 0
9 11 1 0 0 0 0
2 12 1 0 0 0 0
1 12 1 0 0 0 0
11 13 1 0 0 0 0
14 10 1 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 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 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
26 28 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 5
ID LBF20406PH01
FORMULA C22H38NO5P
EXACTMASS 427.2487598409999
AVERAGEMASS 427.51462100000003
SMILES C(CCCC=CCC=CCC=CCC=CCCCCC)(NCCOP(O)(O)=O)=O
M END
