Mol:FL5FA9GS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 0.1008 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2134 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2134 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8821 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0161 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0161 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8821 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3023 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 -0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 0.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0161 0.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6187 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 -0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8885 0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 1.2341 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 1 18 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 22 18 1 0 0 0 0 3 28 1 0 0 0 0 8 29 1 0 0 0 0 29 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SBV 1 32 -5.7924 4.5306 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 ^CH2OH M SBV 2 34 -6.5762 5.1676 S SKP 8 ID FL5FA9GS0004 KNApSAcK_ID C00005125 NAME Galangin 3-methyl ether 7-glucoside CAS_RN - FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES C(C1O)(C(C(OC1Oc(c2)cc(O3)c(C(=O)C(=C(c(c4)cccc4)3)OC)c(O)2)CO)O)O M END