Mol:FL1C1LNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 41 0 0 0 0 0 0 0 0999 V2000 1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.6813 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 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 14 17 1 0 0 0 0 12 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 S SKP 8 ID FL1C1LNI0005 KNApSAcK_ID C00014482 NAME Isogemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone CAS_RN 376590-14-6 FORMULA C30H28O9 EXACTMASS 532.173332494 AVERAGEMASS 532.53792 SMILES c(O)(c(CC=C(C)COC(C=Cc(c3)cc(OC)c(O)c3)=O)2)c(ccc(O)2)C(=O)C=Cc(c1O)ccc(c1)O M END