Mol:FL5FCCDS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 1.3281 1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 1.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 1.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 1.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 -0.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 2.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 0.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 1.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 1.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0324 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3109 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 0.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 -0.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1977 0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 1.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4226 -2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3314 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -0.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 -1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 -2.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8977 -2.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0532 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 6 21 1 0 0 0 0 16 22 1 0 0 0 0 11 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 24 33 1 0 0 0 0 28 9 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 21 1 0 0 0 0 S SKP 5 ID FL5FCCDS0001 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES OC(C5CO)C(O)C(C(O5)OC(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c1O)c(O3)cc(OC)c1C(C2O)OC(C(C(O)2)O)C)O M END