Mol:FL2FA8NI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.1425 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1403 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4272 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4272 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 -1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 -2.3503 0.0000 O 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 6 21 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 12 24 1 0 0 0 0 3 25 1 0 0 0 0 S SKP 8 ID FL2FA8NI0006 KNApSAcK_ID C00014156 NAME Kushenol S;5,7,2'-Trihydroxy-8-prenylflavanone CAS_RN 254886-72-1 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES c(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)(c(O)1)cccc1 M END