Mol:LBF18208HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 26 0 0 1 0 0 0 0 0999 V2000
-2.2414 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5853 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2997 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4747 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2997 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1247 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9355 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2856 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2414 0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2414 1.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 2.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26 27 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
11 10 1 4 0 0 0
4 12 1 4 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
2 21 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
11 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 2 0 0 0 0
3 27 2 0 0 0 0
S SKP 5
ID LBF18208HP01
FORMULA C23H42O4
EXACTMASS 382.30830983199996
AVERAGEMASS 382.57718
SMILES C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC
M END
