Mol:FL2FALNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -1.0992 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 0.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 -0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 2.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 19 14 1 0 0 0 0 16 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 24 1 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 28 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 S SKP 8 ID FL2FALNI0004 KNApSAcK_ID C00008336 NAME Kushenol B CAS_RN 99217-64-8 FORMULA C30H36O6 EXACTMASS 492.251188884 AVERAGEMASS 492.60324 SMILES c(c13)(C(=O)CC(O3)c(c(O)2)ccc(O)c2)c(c(c(c1CC(CC=C(C)C)C(C)=C)O)CC=C(C)C)O M END