Mol:085c FLIG
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 42 0 0 0 0 0 0 0 0999 V2000 -2.5401 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 -0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 -1.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1115 -0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1115 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 0.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -1.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 -0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 0.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 -1.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -1.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 0.2230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 -0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 -1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7938 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -1.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2523 -2.3074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9688 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9688 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 -0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7938 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3813 -2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 -3.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1115 1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1115 2.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 3.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 3.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 3 11 1 0 12 8 1 0 7 13 2 0 12 14 2 0 1 2 1 0 14 15 1 0 9 15 1 0 1 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 2 1 0 17 20 1 0 17 21 1 0 12 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 14 1 0 26 24 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 25 1 0 27 30 1 0 27 31 1 0 23 32 1 0 6 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 S SKP 5 ID 085c FLIG FORMULA C30H30O7 EXACTMASS 502.199153314 AVERAGEMASS 502.55500000000006 SMILES C(C)(C)(O1)CCc(c6O)c(c(c(c56)Oc(o4)c(C5=O)c(c42)cc(O)c(O3)c2C=CC(C)(C)3)CC=C(C)C)1 M END