Mol:FLIF1LNF0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2583 1.1282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.5220 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 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 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 2.2409 -0.7282 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 0.9918 -1.0369 S SKP 8 ID FLIF1LNF0004 KNApSAcK_ID C00009570 NAME Erosone;Isoelliptone CAS_RN 15236-21-2 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES c(o5)(c(cc5)4)cc(c3c4)OC(C2C(=O)3)COc(c21)cc(OC)c(OC)c1 M END