Mol:FL2FALNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -0.3701 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3701 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7425 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7425 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 0.1581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2988 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 -1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 1.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -0.7936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4497 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5584 -1.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5584 -1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 1.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 2.6186 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 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 1 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 16 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 2.0539 1.7526 S SKP 8 ID FL2FALNI0003 KNApSAcK_ID C00008335 NAME Isokurarinone CAS_RN 52483-02-0 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES c(c(O)1)(C(=O)2)c(OC(c(c3OC)ccc(O)c3)C2)cc(c1CC(C(C)=C)CC=C(C)C)O M END