Mol:LBF22207PG02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 26 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 0 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 0 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
6.8923 0.4137 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
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
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 1 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
8.0316 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2045 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5248 3.9634 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
7.3437 5.6860 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
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
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
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 1 1 0 0 0 0
3 23 2 0 0 0 0
2 6 1 6 0 0 0
1 7 1 1 0 0 0
6 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
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
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
15 24 1 6 0 0 0
13 25 1 0 0 0 0
13 26 2 0 0 0 0
S SKP 5
ID LBF22207PG02
FORMULA C22H36O4
EXACTMASS 364.26135963999997
AVERAGEMASS 364.51884
SMILES C(C(C)(C)[C@H](C=C[C@@H](C=1)[C@@H](CCCCCCC(O)=O)C(C1)=O)O)CCC
M END
