Mol:FL1C1ANI0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 -0.8701 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 -0.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -0.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7879 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7879 0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 1.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -1.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FL1C1ANI0022 KNApSAcK_ID C00011139 NAME 3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone CAS_RN - FORMULA C19H18O6 EXACTMASS 342.110338308 AVERAGEMASS 342.34262 SMILES c(c1C(=O)C=Cc(c2)ccc(O)c2)(c(CC(O)C(C)=O)c(O)cc1)O M END