Mol:LBF18102HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 1 0 0 0 0 0999 V2000
-4.1910 2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3464 2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0599 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4951 1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9450 2.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1693 2.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8575 2.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0928 1.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7799 1.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9928 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4359 2.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6832 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0253 1.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0253 -1.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0253 -3.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -4.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5392 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1910 1.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1910 3.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5392 4.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6832 2.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8121 3.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3464 2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 4 0 0 0
5 4 1 4 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
3 7 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 4 0 0 0
9 10 1 0 0 0 0
11 10 1 4 0 0 0
11 12 1 0 0 0 0
12 8 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 4 0 0 0
14 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
20 19 1 4 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
2 27 2 0 0 0 0
S SKP 5
ID LBF18102HP01
FORMULA C19H32O8
EXACTMASS 388.20971799999995
AVERAGEMASS 388.45258
SMILES C(O1)(C(OO)CCCCCCCC(=O)OC)CC(C(O2)CC(C=CC)O2)O1
M END
