Mol:LBF18104HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 1 0 0 0 0 0999 V2000
-4.6743 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6993 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7454 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1567 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3111 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9542 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7085 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0860 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7512 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7512 3.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0546 4.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3007 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3007 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 -2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3007 -3.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 -5.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9217 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6743 1.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6743 3.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9217 5.2137 0.0000 C 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 6 1 0 0 0 0
6 7 1 4 0 0 0
7 8 1 0 0 0 0
3 8 1 4 0 0 0
6 9 1 0 0 0 0
10 9 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 4 0 0 0
12 13 1 0 0 0 0
9 13 1 4 0 0 0
11 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 4 0 0 0
17 18 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
21 22 1 0 0 0 0
23 22 1 4 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 5
ID LBF18104HP01
FORMULA C19H32O8
EXACTMASS 388.20971799999995
AVERAGEMASS 388.45258
SMILES C(C(O2)CC(O2)C(OO)CCCCCCCC(=O)OC)(C=1)OOC(CC)C1
M END
