Mol:LBF20207PG21
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
2.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2788 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8968 -1.3463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1756 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5377 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1309 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7187 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2147 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1658 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3737 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3248 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7743 1.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6591 -4.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7132 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3120 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
1 5 1 0 0 0 0
5 6 1 6 0 0 0
6 7 1 0 0 0 0
1 21 1 6 0 0 0
3 22 1 6 0 0 0
7 8 1 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
7 23 2 0 0 0 0
4 13 1 1 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 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
15 24 1 1 0 0 0
12 25 1 0 0 0 0
12 26 2 0 0 0 0
S SKP 5
ID LBF20207PG21
FORMULA C20H34O6
EXACTMASS 370.23553882
AVERAGEMASS 370.48036
SMILES C(CC[C@@H](O)C=C[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC
M END
</pre>
