Mol:LBF20207PG17
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
8.3292 1.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0202 0.1808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8292 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6382 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3292 1.1318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7414 1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0692 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8612 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9102 -1.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7023 -2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7512 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5433 -3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5923 -3.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3843 -4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 3.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9170 1.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1670 -0.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.9498 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
1 6 1 1 0 0 0
2 7 1 6 0 0 0
6 8 1 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 22 1 1 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
5 21 1 6 0 0 0
8 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
20 23 1 0 0 0 0
20 24 2 0 0 0 0
S SKP 5
ID LBF20207PG17
FORMULA C20H36O4
EXACTMASS 340.26135963999997
AVERAGEMASS 340.49744
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)CC[C@@H](O)1)CC
M END
