Mol:FLIF1LNF0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -1.5332 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2483 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0105 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7111 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -2.3527 0.0000 C 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 1 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 14 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 9 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 1 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 13 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 32 M SMT 1 OCH3 M SBV 1 32 -5.1020 4.0341 S SKP 8 ID FLIF1LNF0010 KNApSAcK_ID C00009974 NAME 3-O-Demethylamorphigenin CAS_RN 98619-30-8 FORMULA C22H20O7 EXACTMASS 396.120902994 AVERAGEMASS 396.39 SMILES c(c14)cc(O5)c(CC5C(CO)=C)c1OC(C2C(=O)4)COc(c3)c2cc(OC)c(O)3 M END