Mol:LBF20307PG18
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
7.4801 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -2.3386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7891 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.7998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2200 -2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -3.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 1.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1180 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 4.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3492 5.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7559 6.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7168 1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 -3.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1681 6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -6.8995 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
6 7 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
1 8 1 1 0 0 0
2 6 1 6 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
3 23 1 6 0 0 0
7 16 2 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
5 22 1 6 0 0 0
10 21 1 6 0 0 0
15 24 1 0 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
S SKP 5
ID LBF20307PG18
FORMULA C20H34O6
EXACTMASS 370.23553882
AVERAGEMASS 370.48036
SMILES C(CCC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CO
M END
