Mol:FL2FCCNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.1300 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5389 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6859 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 1.1638 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 15 19 1 0 0 0 0 14 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 6 26 1 0 0 0 0 26 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 1 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 -1.4873 0.2978 S SKP 8 ID FL2FCCNI0001 KNApSAcK_ID C00008321 NAME Amoradicin CAS_RN 83677-03-6 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES COc(c(CC=C(C)C)3)c(c(c(c3O)1)OC(c(c2)ccc(O)c2O)CC1=O)CC=C(C)C M END