Mol:LBF21307PG05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 0 0 0 0 0 0999 V2000
6.9449 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6359 -1.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4449 -2.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2539 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3571 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7638 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1761 1.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5828 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9950 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4017 4.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8140 5.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -3.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 -3.3470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3179 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 -4.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -5.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6329 6.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 -3.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 -2.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2207 6.0905 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 22 1 1 0 0 0
3 23 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 24 1 1 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
13 25 1 0 0 0 0
25 21 1 0 0 0 0
S SKP 5
ID LBF21307PG05
FORMULA C21H38O4
EXACTMASS 354.27700970399997
AVERAGEMASS 354.52401999999995
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCCOC)[C@@H](C[C@@H]1O)O)CC
M END
</pre>
