Mol:FL5FA9GS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 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 3.0567 -0.9588 0.0000 O 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 0.6571 -1.4544 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 -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 18 8 1 0 0 0 0 1 19 1 0 0 0 0 3 20 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 26 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 ^CH2OH M SBV 1 33 -6.5762 5.1676 S SKP 8 ID FL5FA9GS0002 KNApSAcK_ID C00005122 NAME Galangin 7-glucoside CAS_RN 68592-13-2 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES C(O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cccc2)C(O)C(O)C(O)C1CO M END