Mol:FL7AAAGL0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 76 83 0 0 0 0 0 0 0 0999 V2000 -2.6474 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1649 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1649 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 0.4500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0586 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 1.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3883 0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1405 1.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -2.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8534 -1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 -2.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 -3.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 -4.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 -3.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9665 -1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 -3.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 -4.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7142 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -1.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -1.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6298 -2.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5169 -2.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2963 -1.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 -2.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -2.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3588 -2.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 -2.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4363 -2.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 -2.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 0.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 0.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1777 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4934 2.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 3.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1769 4.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 3.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 2.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 4.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8354 4.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -1.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 4.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 3.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 3.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 3.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 4.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 4.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 4.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 3.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 3.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0549 -4.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -5.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2715 4.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 5.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9753 -1.1629 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 27 30 1 0 0 0 0 22 20 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 1 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 39 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 42 19 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 53 1 0 0 0 0 56 59 1 0 0 0 0 55 60 1 0 0 0 0 34 61 1 0 0 0 0 61 48 1 0 0 0 0 62 63 1 1 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 62 1 0 0 0 0 62 68 1 0 0 0 0 63 69 1 0 0 0 0 64 70 1 0 0 0 0 65 60 1 0 0 0 0 71 72 1 0 0 0 0 24 71 1 0 0 0 0 73 74 1 0 0 0 0 67 73 1 0 0 0 0 75 76 1 0 0 0 0 44 75 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 71 72 M SBL 1 1 79 M SMT 1 ^ CH2OH M SBV 1 79 0.0333 0.7016 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 73 74 M SBL 2 1 81 M SMT 2 ^ CH2OH M SBV 2 81 0.4058 -0.6957 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 75 76 M SBL 3 1 83 M SMT 3 ^ CH2OH M SBV 3 83 0.4977 -0.5767 S SKP 5 ID FL7AAAGL0049 FORMULA C48H57O28 EXACTMASS 1081.30363624 AVERAGEMASS 1081.94938 SMILES OC(C8O)C(OC(C(O)8)OC(C3O)C(Oc(c7)c([o+1]c(c75)cc(O)cc5OC(C(O)6)OC(C(O)C6O)CO)c(c4)ccc(c4)O)OC(C3O)CO)COC(=O)C=Cc(c1)ccc(c1OC(O2)C(C(C(O)C2CO)O)O)O M END