Mol:LBF18307HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 20 0 0 1 0 0 0 0 0999 V2000 -3.5289 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 -0.3575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6745 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 -1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2767 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2767 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 3 10 1 0 0 0 0 10 11 2 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 12 18 1 6 0 0 0 9 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 S SKP 5 ID LBF18307HO01 FORMULA C18H30O3 EXACTMASS 294.21949482599996 AVERAGEMASS 294.429 SMILES CCCCCC(O)C=CC=CCC=CCCCCC(O)=O M END