Mol:LBF22307PG10
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 28 0 0 0 0 0 0 0 0999 V2000
7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 2.1363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3492 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0624 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6502 1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4692 -0.6043 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
3 23 1 6 0 0 0
2 6 1 6 0 0 0
6 7 1 0 0 0 0
1 8 1 1 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
13 14 1 0 0 0 0
10 24 1 1 0 0 0
7 15 2 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
5 25 1 6 0 0 0
14 20 1 0 0 0 0
19 26 1 0 0 0 0
19 27 2 0 0 0 0
25 21 1 0 0 0 0
21 28 2 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF22307PG10
FORMULA C22H36O6
EXACTMASS 396.251188884
AVERAGEMASS 396.51764000000003
SMILES [C@@H]([C@@H]1C=C[C@H](CCCCC)O)(C[C@@H]([C@@H]1CC=CCCCC(O)=O)O)OC(C)=O
M END
