Mol:FL3FCAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -2.7281 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1297 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1297 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4477 1.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1204 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6206 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 1.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4777 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5441 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -0.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2109 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -2.0065 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 14 19 1 0 0 0 0 20 1 1 0 0 0 0 21 20 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 19 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 29 1 0 0 0 0 S SKP 5 ID FL3FCAGS0005 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES Oc(c51)cc(cc(OC(=CC(=O)5)c(c2)ccc(OC(O3)C(C(O)C(C3COC(O4)C(O)C(C(O)C4)O)O)O)c2)1)OC M END