Mol:FL3FEANS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.0592 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8561 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8561 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 1.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 1.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1148 -0.1650 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 -2.7737 0.2425 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 2.7737 1.4977 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.4164 1.4122 S SKP 8 ID FL3FEANS0011 KNApSAcK_ID C00004022 NAME 5-Allyloxysalvigenin CAS_RN 87200-85-9 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES COc(c3OC)cc(c2c(OCC=C)3)OC(=CC2=O)c(c1)ccc(OC)c1 M END