Mol:FL5FADGA0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -3.8563 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8563 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 -0.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4275 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4275 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 -0.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 1.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 -1.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2845 1.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 1.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2845 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 1.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2641 -0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 -1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 2.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1742 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 -1.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 -2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1742 -3.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 -2.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 -2.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -3.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 -1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 -0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -0.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 -1.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 -1.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 -4.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 -4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7688 -3.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 -2.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 -2.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -3.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1705 -1.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 -2.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -2.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7783 -4.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 -4.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3577 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5705 -0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 3.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 4.4067 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 23 19 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 28 32 1 0 0 0 0 35 40 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 46 49 1 0 0 0 0 41 50 1 0 0 0 0 42 51 1 0 0 0 0 51 31 1 0 0 0 0 52 53 1 0 0 0 0 36 52 1 0 0 0 0 54 55 1 0 0 0 0 16 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 CH2OH M SBV 1 58 -0.7068 -0.1971 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 OCH3 M SBV 2 60 -0.0147 -0.8004 S SKP 5 ID FL5FADGA0013 FORMULA C34H42O21 EXACTMASS 786.2218584059999 AVERAGEMASS 786.68468 SMILES C(C6O)(C(O)C(OC(C)6)OCC(O1)C(O)C(O)C(OC(O5)C(O)C(C(O)C5CO)O)C(OC(C3=O)=C(c(c4)cc(OC)c(c4)O)Oc(c32)cc(O)cc(O)2)1)O M END
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