Mol:FL5FFAGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 1.1286 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 2.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 -1.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 -2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3224 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 -1.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 -2.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 -2.9030 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 13 22 1 0 0 0 0 28 23 1 1 0 0 0 27 23 1 1 0 0 0 26 28 1 1 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 27 29 1 0 0 0 0 23 24 1 0 0 0 0 19 26 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 6 0 0 0 S SKP 5 ID FL5FFAGS0025 FORMULA C21H19HO12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(O3)C(C(C3(C(O)CO)[H])O)O)C2=O)c(c1)ccc(O)c1 M END