Mol:LBF237nnPG02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 0 0 0 0 0 0999 V2000
6.6359 2.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5494 2.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4449 3.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4667 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9667 2.7546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4280 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4154 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4154 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2815 0.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2815 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2815 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2815 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0135 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0135 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9722 2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1880 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -3.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1372 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
5 24 1 1 0 0 0
3 25 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 26 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
13 27 1 0 0 0 0
13 28 2 0 0 0 0
S SKP 5
ID LBF237nnPG02
FORMULA C23H32O5
EXACTMASS 388.224974134
AVERAGEMASS 388.49718
SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O
M END
</pre>
