Mol:FL3FADCS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.1154 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1154 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4007 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4007 1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 -1.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8299 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4007 -1.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 2.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3811 0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9363 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6279 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1267 0.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 -0.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9725 -0.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6317 -0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -0.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2324 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5892 -1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9422 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5383 -1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6526 -1.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9507 -2.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9003 -2.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1567 0.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2695 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2695 0.9726 0.0000 O 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 1 12 1 0 0 0 0 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 29 1 0 0 0 0 24 2 1 0 0 0 0 40 41 1 0 0 0 0 16 40 1 0 0 0 0 42 43 1 0 0 0 0 26 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 OCH3 M SBV 1 45 -1.1127 0.6424 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 ^ CH2OH M SBV 2 47 0.5278 -0.5985 S SKP 5 ID FL3FADCS0011 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES OC(C1OC(C2O)C(c(c(O)5)c(O)cc(c45)OC(=CC4=O)c(c3)cc(c(O)c3)OC)OC(C(O)2)CO)C(O)C(C(O1)C)O M END