Mol:FL3FFCGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 0.0415 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 -1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7564 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7564 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 0.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 0.2243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6931 -0.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9506 -0.1676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2342 -0.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7548 0.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 0.0885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7853 -0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4969 -0.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 0.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 1.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 2.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 1.2087 0.0000 O 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 20 15 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 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 34 35 M SBL 3 1 37 M SMT 3 CH2OH M SVB 3 37 -2.6066 0.5456 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SVB 2 35 2.9246 1.4694 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 0.743 0.6492 S SKP 8 ID FL3FFCGS0017 KNApSAcK_ID C00004436 NAME 8-Hydroxyluteolin 8,3'-dimethyl ether 7-glucoside CAS_RN 135043-85-5 FORMULA C23H24O12 EXACTMASS 492.126776232 AVERAGEMASS 492.42946 SMILES c(c1O)(cc(C(=C4)Oc(c(C(=O)4)3)c(c(cc3O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)OC)cc1)OC M END