Mol:FL5FCDGA0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -2.9224 0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9224 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 1.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 -0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 2.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6273 -0.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -1.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 -2.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 -2.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 -2.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 -1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 -1.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 -1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6955 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2725 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 -0.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9043 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3275 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 0.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2876 0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4739 -2.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 -3.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 2.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 -2.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 -3.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 -3.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -3.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -2.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -3.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 -2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 -3.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 -3.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9782 -4.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 3.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8531 4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 1.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1068 2.2883 0.0000 C 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 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 27 33 1 0 0 0 0 32 34 1 0 0 0 0 31 35 1 0 0 0 0 30 36 1 0 0 0 0 24 37 1 0 0 0 0 36 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 28 18 1 0 0 0 0 41 15 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 38 1 0 0 0 0 52 53 1 0 0 0 0 16 52 1 0 0 0 0 54 55 1 0 0 0 0 1 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 OCH3 M SBV 1 58 0.0000 -0.6973 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 ^ OCH3 M SBV 2 60 0.5544 -0.3201 S SKP 5 ID FL5FCDGA0004 FORMULA C35H44O20 EXACTMASS 784.242593848 AVERAGEMASS 784.71186 SMILES Oc(c6)c(c2cc(OC)6)C(C(OC(C(O)5)OC(C(O)C5O)COC(O4)C(O)C(O)C(C4C)OC(C3O)OC(C)C(C3O)O)=C(O2)c(c1)cc(c(c1)O)OC)=O M END
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