Mol:FL3FF8GS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -1.5865 -1.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5865 -1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 -1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 -1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2178 -1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2178 -1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -2.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 -1.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 -1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -1.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0477 -1.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1252 0.5642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0741 1.2617 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1252 1.9634 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5030 2.3262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3037 1.6287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7864 2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 2.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4006 0.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0503 -0.2778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0477 -1.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 -0.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4985 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 1.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -1.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -1.8280 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 20 1 1 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 17 29 1 0 0 0 0 29 21 1 0 0 0 0 14 30 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 0 0 0 0 25 33 1 0 0 0 0 33 34 1 0 0 0 0 13 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 33 34 M SBL 3 1 36 M SMT 3 CH2OH M SVB 3 36 -0.8847 2.2029 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 35 36 M SBL 2 1 38 M SMT 2 OCH3 M SVB 2 38 0.6437 -1.5637 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 -0.8966 -0.6152 S SKP 8 ID FL3FF8GS0009 KNApSAcK_ID C00004530 NAME 5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone 6'-glucoside CAS_RN 155014-34-9 FORMULA C23H24O13 EXACTMASS 508.121690854 AVERAGEMASS 508.42886 SMILES OC(C4O)[C@H](O[C@@H](CO)[C@H]4O)Oc(c3)c(c(c(O)c3)OC)C(=C2)Oc(c(OC)1)c(C2=O)c(cc1O)O M END