Mol:LBF22207PG03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000
9.0858 4.1149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7768 3.1639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5858 2.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3948 3.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0858 4.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 2.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 3.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 3.2150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 3.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 3.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3459 2.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4980 4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9159 -4.9239 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
7 8 2 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
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 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
19 20 1 0 0 0 0
4 23 2 0 0 0 0
1 25 1 6 0 0 0
3 6 1 6 0 0 0
9 24 1 1 0 0 0
20 21 1 0 0 0 0
22 26 1 0 0 0 0
22 27 2 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF22207PG03
FORMULA C22H38O5
EXACTMASS 382.271924326
AVERAGEMASS 382.53412000000003
SMILES C(CCC(O)=O)CCCCC[C@H]([C@@H](C=C[C@H](CCCCC)O)1)C(C[C@@H](O)1)=O
M END
