Mol:FL3FAEGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.2349 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2349 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 -2.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9346 0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9075 0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5387 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0324 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5427 -0.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0959 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8476 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6214 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 1.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 0.8531 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 16 18 1 0 0 0 0 1 19 1 0 0 0 0 3 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 24 19 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 26 30 1 0 0 0 0 33 34 1 0 0 0 0 15 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 30 31 32 M SBL 1 1 35 M SMT 1 ^COOH M SBV 1 35 0.5889 -0.5703 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 37 M SMT 2 OCH3 M SBV 2 37 -0.7331 -0.4871 S SKP 5 ID FL3FAEGS0002 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(O)=O)O)O)1)OC(c(c2)ccc(c2O)OC)=CC1=O M END