Mol:LBF20000HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 4.2085 -0.0481 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7915 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0057 -0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 0.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0426 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4595 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8765 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 -0.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2615 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4223 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0057 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 0.7769 0.0000 O 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 3 5 2 0 0 0 0 1 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 10 11 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 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 1 23 1 4 0 0 0 S SKP 5 ID LBF20000HO02 FORMULA C20H40O3 EXACTMASS 328.297745146 AVERAGEMASS 328.5298 SMILES OC(CCCCCCCCCCCCCCCCC)CC(O)=O M END