Mol:FL3FE9GS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.4423 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4423 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5589 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5589 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9365 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7256 -1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 -0.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 -0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1728 -1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5589 -0.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 22 30 1 0 0 0 0 25 19 1 0 0 0 0 S SKP 5 ID FL3FE9GS0013 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES COc(c1OC(O4)C(O)C(C(O)C4)O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O M END