Mol:FL5FAIGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 1.7063 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 0.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5806 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5806 0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 -0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 3.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 3.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 1.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6839 -2.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -0.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 -1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6839 -1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 -1.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 -2.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2381 -3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 -3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -3.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2336 -2.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0271 -3.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -4.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 -4.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -3.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5087 -3.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 4.3441 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 6 23 1 0 0 0 0 23 24 1 0 0 0 0 30 25 1 1 0 0 0 29 25 1 1 0 0 0 28 30 1 1 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 29 31 1 0 0 0 0 25 27 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 19 28 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 38 33 1 0 0 0 0 22 44 1 0 0 0 0 S SKP 5 ID FL5FAIGS0004 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES OC(C(OCC(C(O)2)OC(OC(=C(c(c5)cc(c(c5OC)O)OC)4)C(=O)c(c(O)3)c(O4)cc(c3)O)C2O)1)C(C(O)C(C)O1)O M END