Mol:FLIFWYNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.7633 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2076 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2076 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3194 -0.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 2.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 0.7783 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 8 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 9 17 1 0 0 0 0 7 18 2 0 0 0 0 16 19 1 0 0 0 0 19 17 1 0 0 0 0 20 1 1 0 0 0 0 3 21 1 0 0 0 0 2 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 23 24 25 26 M SBL 1 1 26 M SMT 1 ^OCOCH3 M SBV 1 26 -4.4382 3.9017 S SKP 8 ID FLIFWYNS0004 KNApSAcK_ID C00009987 NAME Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone CAS_RN 128486-15-7 FORMULA C18H12O8 EXACTMASS 356.05321735999996 AVERAGEMASS 356.28308 SMILES O(c34)C(C(O1)=C(c3cccc4)C(c(c2O)c1cc(c2O)O)=O)OC(C)=O M END