Mol:FLIAALNI0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.0045 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -2.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -2.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -2.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -2.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 2.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -0.3294 0.0000 O 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 16 27 1 0 0 0 0 S SKP 8 ID FLIAALNI0015 KNApSAcK_ID C00009905 NAME 2,3-Dehydrokievitone hydrate;5,7,2',4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone CAS_RN 104691-93-2 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES c(c3O)(C1=O)c(c(CCC(C)(C)O)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1 M END