Mol:LBF20306CV02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
6.1791 -0.6472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8701 -1.5983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6791 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4881 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1791 -0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 -1.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5913 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9981 1.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4103 1.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8170 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2292 3.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6360 4.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0482 5.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4549 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 -2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -3.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5522 -4.1726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7431 -5.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 -5.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 -4.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6791 -3.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6386 -4.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.2430 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 2 0 0 0 0
1 5 1 0 0 0 0
2 6 1 1 0 0 0
1 7 1 6 0 0 0
7 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
3 21 2 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
6 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 22 1 1 0 0 0
22 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
17 20 1 0 0 0 0
18 23 2 0 0 0 0
S SKP 5
ID LBF20306CV02
FORMULA C20H28O3
EXACTMASS 316.203844762
AVERAGEMASS 316.43452
SMILES C(CC=CC[C@@H]([C@@H]1CC=C[C@@H](C2)OC(=O)C2)C=CC(=O)1)CCC
M END
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