Mol:068c FLIC
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.4782 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 -1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 -1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 0.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0936 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0936 -2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 -2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 -2.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 2.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 0.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 1 11 12 2 0 12 13 1 0 14 15 1 0 15 16 2 0 16 11 1 0 1 2 2 0 13 14 2 0 14 17 1 0 16 18 1 0 6 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 1 24 1 0 25 2 1 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 S SKP 5 ID 068c FLIC FORMULA C25H30O4 EXACTMASS 394.21440944799997 AVERAGEMASS 394.50329999999997 SMILES CC(C)=CCc(c1)c(O)c(CC=C(C)C)c(O3)c1CC(C3)c(c2)c(O)cc(O)c2 M END