Mol:LBGAUB0N01
Copyright: ARM project http://www.metabolome.jp/
47 46 0 0 0 0 0 0 0 0999 V2000 -6.0415 -0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3663 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6108 1.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -0.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 0.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 1.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1719 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1328 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5612 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8676 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2965 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 -1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 -1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 1.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 -0.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5826 -0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3139 -1.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 5 1 0 1 4 1 0 6 3 1 0 7 6 1 0 8 7 2 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 2 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 2 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 2 0 22 21 1 0 23 22 2 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 2 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 2 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 2 0 4 21 1 0 8 36 1 0 12 37 1 0 16 38 1 0 20 39 1 0 23 40 1 0 27 41 1 0 31 42 1 0 35 43 1 0 20 44 1 0 35 45 1 0 1 46 1 0 46 47 1 0
S SKP 6 AUTODRAW FALSE ID EEL0032,EEL0216 FORMULA C43H72O3 EXACTMASS 636.54814617 AVERAGEMASS 637.02998 SMILES C(OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C([H])(OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CO M END
