Mol:FL2FA8NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.4022 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 -2.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 2.6856 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 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2FA8NI0001 KNApSAcK_ID C00008270 NAME Kushenol A CAS_RN 99217-63-7 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O M END