Mol:LBF18108HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
-4.2968 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1716 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4590 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7100 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6857 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2733 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4483 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0358 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8843 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2968 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2968 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4589 2.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 -0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 -1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 -1.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 23 1 0 0 0 0
5 4 1 4 0 0 0
2 6 1 4 0 0 0
3 6 1 4 0 0 0
1 7 1 0 0 0 0
2 10 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 12 2 0 0 0 0
11 13 1 0 0 0 0
5 14 1 0 0 0 0
14 15 1 0 0 0 0
5 16 1 0 0 0 0
11 22 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
4 23 2 0 0 0 0
S SKP 5
ID LBF18108HP01
FORMULA C18H32O5
EXACTMASS 328.224974134
AVERAGEMASS 328.44368000000003
SMILES C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1
M END
