Mol:FL3FFAGSS005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 45 0 0 0 0 0 0 0 0999 V2000 -1.6082 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 -1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -0.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 0.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 0.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -3.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -3.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1394 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 -0.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 0.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7791 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 1.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1801 2.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 2.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2755 1.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0564 0.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 2.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 2.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 0.0255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 0.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1702 2.3379 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1702 3.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1702 1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 2.3379 0.0000 O 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 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 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 14 19 1 0 0 0 0 20 1 1 0 0 0 0 6 21 1 0 0 0 0 19 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 32 35 1 0 0 0 0 26 21 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 30 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 S SKP 5 ID FL3FFAGSS005 FORMULA C22H20O18S2 EXACTMASS 636.0091052160001 AVERAGEMASS 636.5154 SMILES Oc(c24)cc(c(c2OC(=CC4=O)c(c3)ccc(c3)OC)OC(O1)C(OS(O)(=O)=O)C(C(OS(O)(=O)=O)C(C(O)=O)1)O)O M END