Mol:FL5FAAGL0056
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 62 68 0 0 0 0 0 0 0 0999 V2000 -1.4746 1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7601 0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7601 2.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 2.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 -0.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 2.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 3.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 2.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 0.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7601 -0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 3.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -1.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 -2.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 -1.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 0.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8496 -1.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -2.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 -0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6315 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8473 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1315 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -0.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -0.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9288 2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4605 2.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5145 1.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1252 1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9385 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 -3.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 -1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7894 -1.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 -0.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 -3.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 -3.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 2.8862 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 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 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 18 1 0 0 0 0 51 50 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 1 0 0 0 55 50 1 1 0 0 0 54 56 1 0 0 0 0 53 57 1 0 0 0 0 55 58 1 0 0 0 0 50 59 1 0 0 0 0 51 60 1 0 0 0 0 60 31 1 0 0 0 0 61 62 1 0 0 0 0 46 61 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 61 62 M SBL 1 1 68 M SMT 1 ^ CH2OH M SBV 1 68 0.5294 -0.6166 S SKP 5 ID FL5FAAGL0056 FORMULA C38H48O24 EXACTMASS 888.253552464 AVERAGEMASS 888.77332 SMILES c(O6)(c1C(=O)C(=C6c(c7)ccc(O)c7)OC(O3)C(OC(C(O)5)OCC(C5O)O)C(C(C3COC(C4O)OC(C)C(O)C4O)O)O)cc(OC(O2)C(O)C(O)C(O)C(CO)2)cc(O)1 M END