Mol:FL3FCBCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.8333 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 -1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 -1.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 1.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0688 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4353 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 -1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1819 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5146 0.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7742 -1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8292 -1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 1.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 7 11 2 0 0 0 0 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 2 22 1 0 0 0 0 28 29 1 0 0 0 0 1 28 1 0 0 0 0 30 31 1 0 0 0 0 16 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 32 M SMT 1 ^ OCH3 M SBV 1 32 0.4389 -0.7602 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 34 M SMT 2 OCH3 M SBV 2 34 -0.7199 -0.4157 S SKP 5 ID FL3FCBCS0001 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(c(C(O3)C(O)C(O)C(C3)O)c2OC)O)cc(OC)cc1 M END