Mol:LBF20307PG11
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
9.3948 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3948 -1.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5858 -0.9367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7768 -1.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0858 -2.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5858 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 1.5633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3179 2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 1.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9159 1.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7820 2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 -1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 -1.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 -1.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 -2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 -1.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 2.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8948 -3.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7039 -2.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -1.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 3.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
6 7 2 0 0 0 0
8 7 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
3 6 1 1 0 0 0
8 21 1 6 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
5 22 1 6 0 0 0
2 23 1 6 0 0 0
22 23 1 0 0 0 0
4 14 1 6 0 0 0
14 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
20 24 1 0 0 0 0
20 25 2 0 0 0 0
21 26 1 0 0 0 0
S SKP 5
ID LBF20307PG11
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CC[C@@H](OO)C=C[C@@H]([C@H]21)[C@@H](CC=CCCCC(O)=O)[C@@H](OO2)C1)CC
M END
</pre>
