Mol:FL3FADCS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.8764 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 -2.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6118 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 -2.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 -2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 -2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5611 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -1.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8001 -3.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 -2.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 2.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0673 3.5985 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 3 12 1 0 0 0 0 1 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 9 14 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 23 27 1 0 0 0 0 22 28 2 0 0 0 0 21 29 1 0 0 0 0 24 30 1 0 0 0 0 2 25 1 0 0 0 0 31 32 1 0 0 0 0 18 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 0.0000 -0.7450 S SKP 5 ID FL3FADCS0018 FORMULA C22H20O10 EXACTMASS 444.10564686 AVERAGEMASS 444.3882 SMILES O(c23)C(=CC(=O)c(c(c(C(O4)C(C(C(C(C)4)=O)O)O)c(O)c3)O)2)c(c1)cc(c(c1)O)OC M END