Mol:FLIA1CCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.9711 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2541 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2541 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2498 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 1.1892 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 27 8 1 0 0 0 0 24 29 1 0 0 0 0 18 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 -7.1126 5.9737 S SKP 8 ID FLIA1CCS0001 KNApSAcK_ID C00006360 NAME Pueraria glycoside 1 CAS_RN 117060-54-5 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c3C(C(O)4)OC(CO)C(O)C4O)(ccc(c31)C(C(c(c2)cc(c(O)c2)O)=CO1)=O)O M END