Mol:FL7AADGO0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.1352 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4341 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4341 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -0.2807 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.3699 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4429 -1.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 -0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 -1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 -2.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 -1.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 -2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -1.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 -0.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4341 -2.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 1.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6487 2.7089 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 17 8 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 17 1 0 0 0 0 3 29 1 0 0 0 0 30 31 1 0 0 0 0 15 30 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 -0.0080 -0.6215 S SKP 5 ID FL7AADGS0001 FORMULA C21H21O10 EXACTMASS 433.113471892 AVERAGEMASS 433.38544 SMILES C(O1)(Oc(c(c(c4)cc(c(O)c4)OC)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O M END