Mol:FL3FADGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.1079 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 -2.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4743 0.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6508 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 0.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 1.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6508 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2441 2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7651 2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0942 1.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 -0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 1.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 2.9083 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 1 20 1 0 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 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 22 20 1 0 0 0 0 31 32 1 0 0 0 0 16 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -0.0079 -0.7429 S SKP 5 ID FL3FADGS0003 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(C1O)OC(C(O)C1O)C)O)=O)OC M END