Mol:LBF18106EO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-4.2386 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4733 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5075 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4299 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9206 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4733 2.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8261 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2386 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2386 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6566 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2442 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4192 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0067 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 4 0 0 0
5 6 1 4 0 0 0
3 7 1 4 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 0 0 0 0
8 17 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
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 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
2 22 2 0 0 0 0
S SKP 5
ID LBF18106EO02
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1
M END
