Mol:LBF22307PG05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 28 0 0 0 0 0 0 0 0999 V2000
6.9449 -1.6611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6359 -2.6121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4449 -3.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2539 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -1.6611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3571 -0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -2.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7638 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1761 0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5828 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9950 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4017 3.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8140 4.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -3.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 -4.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3179 -5.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 -5.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -6.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -6.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2207 5.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6329 6.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0396 6.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 -0.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 -4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 -3.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8194 4.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4519 7.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
5 1 1 0 0 0 0
1 6 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 24 1 1 0 0 0
3 25 1 1 0 0 0
2 7 1 6 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
7 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 26 1 1 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
13 21 1 0 0 0 0
13 27 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 28 1 0 0 0 0
S SKP 5
ID LBF22307PG05
FORMULA C22H39NO5
EXACTMASS 397.282823363
AVERAGEMASS 397.5488
SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(=O)NCCO)[C@@H](C[C@H](O)1)O)O
M END
