Mol:LBF22309PG01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000
10.7800 3.3447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4710 2.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2800 1.8058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0890 2.3936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7800 3.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2800 0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5199 2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7768 2.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 2.4447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0826 3.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 3.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1460 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1460 -0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0121 -1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0121 -2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8781 -2.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8781 -3.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0401 2.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6178 1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1922 4.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0121 -4.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7441 -4.1942 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 0 0 0 0
15 16 2 0 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
4 23 1 6 0 0 0
9 24 1 1 0 0 0
3 6 1 6 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
1 25 1 6 0 0 0
20 26 1 0 0 0 0
20 27 2 0 0 0 0
S SKP 5
ID LBF22309PG01
FORMULA C22H38O5
EXACTMASS 382.271924326
AVERAGEMASS 382.53412000000003
SMILES C(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O)CCCC
M END
</pre>
