Mol:LBF20306HO05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -3.2110 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0701 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 1.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 0.4146 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 2 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 5 14 2 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 7 20 1 1 0 0 0 13 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF20306HO05 FORMULA C20H34O3 EXACTMASS 322.25079495399996 AVERAGEMASS 322.48216 SMILES C(CC=CCC=CC=CC(CCCCCCC(O)=O)O)CCC M END