Mol:FL5FAAGS0139
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 105115 0 0 0 0 0 0 0 0999 V2000 3.0522 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 3.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 -0.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9365 1.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 0.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8789 3.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 -0.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 -2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 -0.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 -0.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0407 -2.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 -2.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0541 -2.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7237 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9159 -0.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 -1.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8945 -2.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -2.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -4.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -4.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5258 -3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8635 -5.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -3.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -3.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -3.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -3.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 -3.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -4.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 -3.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 -3.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 -1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 -2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4443 -2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0379 -1.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 -1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -2.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 -2.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8795 0.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5038 1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 0.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 1.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1247 1.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9964 2.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 3.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 3.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3569 4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0993 4.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4546 3.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0677 3.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4855 5.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0349 -0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 -1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 -0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9297 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6213 -1.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -1.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -0.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2348 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7635 -2.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9743 -2.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3275 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 -1.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 -2.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4846 -3.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 -3.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5258 -2.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3631 -2.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 -0.1691 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 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 5 20 1 0 0 0 0 16 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 32 33 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 47 50 1 0 0 0 0 46 51 1 0 0 0 0 45 52 1 0 0 0 0 44 53 1 0 0 0 0 48 31 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 54 1 0 0 0 0 54 60 1 0 0 0 0 55 61 1 0 0 0 0 56 62 1 0 0 0 0 57 29 1 0 0 0 0 25 19 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 1 0 0 0 66 65 1 1 0 0 0 67 66 1 1 0 0 0 67 68 1 0 0 0 0 68 63 1 0 0 0 0 66 69 1 0 0 0 0 65 70 1 0 0 0 0 64 71 1 0 0 0 0 63 72 1 0 0 0 0 67 18 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 82 77 1 0 0 0 0 80 83 1 0 0 0 0 71 73 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 84 1 0 0 0 0 87 90 1 0 0 0 0 86 91 1 0 0 0 0 85 92 1 0 0 0 0 84 93 1 0 0 0 0 88 70 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 1 0 0 0 97 96 1 1 0 0 0 98 97 1 1 0 0 0 98 99 1 0 0 0 0 99 94 1 0 0 0 0 97100 1 0 0 0 0 96101 1 0 0 0 0 95102 1 0 0 0 0 94103 1 0 0 0 0 98 91 1 0 0 0 0 104105 1 0 0 0 0 59104 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 104 105 M SBL 1 1 115 M SMT 1 ^ CH2OH M SBV 1 115 0.3114 -1.5271 S SKP 5 ID FL5FAAGS0139 FORMULA C69H82O36 EXACTMASS 1486.458579016 AVERAGEMASS 1487.36778 SMILES OC(C%11O)C(C(OC%11CO)OCC(C(O)8)OC(C(OC(=O)C=Cc(c%10)ccc(c%10)O)C(OC(O9)C(O)C(O)C(O)C9C)8)OC(C7=O)=C(Oc(c27)cc(OC(O3)C(C(OC(O6)C(C(C(C6C)O)OC(O5)C(C(C(O)C(C)5)O)O)O)C(OC(=O)C=Cc(c4)ccc(O)c4)C3C)O)cc2O)c(c1)ccc(O)c1)O M END
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