Mol:LBF237nnPG03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 0 0 0 0 0 0999 V2000
2.6691 -0.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5827 -0.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4781 0.4527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5000 0.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.5418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3147 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -4.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 3.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2918 4.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0838 5.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 6.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6191 7.0418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -5.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -7.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7780 5.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 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 1 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
2 7 1 1 0 0 0
6 12 1 0 0 0 0
12 13 2 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
4 25 1 6 0 0 0
3 6 1 6 0 0 0
9 27 1 1 0 0 0
16 17 1 0 0 0 0
17 28 2 0 0 0 0
17 18 1 0 0 0 0
11 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
1 26 1 6 0 0 0
S SKP 5
ID LBF237nnPG03
FORMULA C23H33NO4
EXACTMASS 387.24095854899997
AVERAGEMASS 387.51246
SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(N)=O)[C@@H](C[C@H](O)1)O)O
M END
