Mol:FL1DACNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 37 0 0 0 0 0 0 0 0999 V2000 -1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 3.7125 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 13 17 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 5 20 1 0 0 0 0 14 21 1 0 0 0 0 6 22 1 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 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 34 36 1 0 0 0 0 S SKP 8 ID FL1DACNI0002 KNApSAcK_ID C00014620 NAME 2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone CAS_RN 205109-19-9 FORMULA C30H38O6 EXACTMASS 494.266838948 AVERAGEMASS 494.61912 SMILES c(c2)(c(c(c(c(O)2)CC=C(C)CCC=C(C)C)O)C(CCc(c1)cc(c(O)c1O)CC=C(C)C)=O)O M END