Mol:LBF20307PG25
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 0 0 0 0 0 0999 V2000
6.9449 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6359 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4449 -1.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2539 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3571 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7638 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1761 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5828 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9950 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4017 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8140 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3179 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8194 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2207 6.4950 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
3 22 1 1 0 0 0
1 6 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 23 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
5 21 1 6 0 0 0
13 24 1 0 0 0 0
13 25 2 0 0 0 0
S SKP 5
ID LBF20307PG25
FORMULA C20H34O5
EXACTMASS 354.240624198
AVERAGEMASS 354.48096000000004
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H]1O)O)CC
M END
</pre>
