Mol:FL4DAEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -3.0953 0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 -0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 1.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0953 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 2.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 2.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7134 1.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 -0.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 -0.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 3.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 -2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 -2.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 -3.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -2.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 -2.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6338 -0.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1135 -0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 -0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9961 0.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 -0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 -1.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -1.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 -3.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 -3.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 -3.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 2.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7134 2.2935 0.0000 C 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 2 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 26 39 1 0 0 0 0 38 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 30 19 1 0 0 0 0 43 44 1 0 0 0 0 15 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 48 M SMT 1 OCH3 M SBV 1 48 -0.7252 -0.4188 S SKP 5 ID FL4DAEGS0001 FORMULA C28H34O16 EXACTMASS 626.18468504 AVERAGEMASS 626.55996 SMILES O(C(C4=O)C(Oc(c5)c4c(cc5O)O)c(c3)ccc(OC)c(O)3)C(O1)C(O)C(O)C(C1COC(O2)C(C(C(O)C(C)2)O)O)O M END