Mol:FL5FADGS0032
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 58 63 0 0 0 0 0 0 0 0999 V2000 2.1486 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4236 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4236 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4236 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 3.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 4.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8803 4.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4639 -1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 -1.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 -1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2633 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8573 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6412 -2.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1255 -2.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 -1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 -3.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 -3.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9563 -2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 -2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 -2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 -2.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 -3.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 -3.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9901 -3.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 -3.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -2.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 -1.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -2.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5005 -3.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 -3.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 -3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 -4.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 -3.4851 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 31 1 0 0 0 0 27 19 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 48 53 1 0 0 0 0 47 54 1 0 0 0 0 46 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 50 34 1 0 0 0 0 S SKP 5 ID FL5FADGS0032 FORMULA C36H44O22 EXACTMASS 828.232423092 AVERAGEMASS 828.72136 SMILES c(OC)(c(O)6)cc(cc6)C(O2)=C(OC(C3OC(C(O)5)OC(C(OC(C)=O)C(O)5)C)OC(COC(O4)C(C(C(O)C(CO)4)O)O)C(C3O)O)C(c(c21)c(O)cc(O)c1)=O M END