Mol:LBF237nnPG04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
2.6691 -1.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5827 -1.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4781 -0.3709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5000 -0.1630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.3655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3147 -4.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -4.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 2.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2918 3.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0838 4.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 5.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3622 6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3133 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1543 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 0.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -2.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6191 6.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7780 4.9310 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 27 1 6 0 0 0
3 6 1 6 0 0 0
9 29 1 1 0 0 0
11 17 1 0 0 0 0
17 18 2 0 0 0 0
18 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 17 1 0 0 0 0
16 23 1 0 0 0 0
1 28 1 6 0 0 0
23 30 1 0 0 0 0
23 31 2 0 0 0 0
30 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 5
ID LBF237nnPG04
FORMULA C26H38O5
EXACTMASS 430.271924326
AVERAGEMASS 430.57692
SMILES [C@@H](C2)(O)[C@@H]([C@H]([C@@H](O)2)CC=CCCCC(=O)OC(C)C)C=C[C@@H](O)CCc(c1)cccc1
M END
