Mol:FL2FADNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -2.0876 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5249 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 1.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5796 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 -0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 -0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 20 15 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 2 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 18 30 1 0 0 0 0 30 24 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 26 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 16 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 39 M SMT 1 OCH3 M SVB 1 39 1.3175 1.4923 S SKP 8 ID FL2FADNP0001 KNApSAcK_ID C00008476 NAME Amoricin CAS_RN 119347-01-2 FORMULA C31H36O6 EXACTMASS 504.251188884 AVERAGEMASS 504.61394 SMILES O(C(c(c4)cc(CC=C(C)C)c(c4OC)O)3)c(c2CC=C(C)C)c(C(=O)C3)c(c(c21)C=CC(O1)(C)C)O M END