Mol:FL5FADGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.3999 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -2.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4398 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 0.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4621 2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1867 1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 -0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 2.8134 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 9 12 1 0 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 18 1 0 0 0 0 32 33 1 0 0 0 0 16 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 0.0059 -0.7385 S SKP 5 ID FL5FADGS0009 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)C M END