Mol:FL7AAGGL0058
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 99108 0 0 0 0 0 0 0 0999 V2000 -5.0781 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0781 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 1.7778 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -1.4437 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 2.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 3.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 2.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6254 3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 0.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6581 1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 -0.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 1.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 -1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 -2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -1.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2747 -0.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7862 -1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -2.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3105 -2.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0365 -2.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 -0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8556 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 0.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4965 -1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 -0.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -0.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0553 -1.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6826 6.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1449 5.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 4.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 4.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 5.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1081 6.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 4.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 5.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 -1.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4726 -1.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5775 -2.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -3.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -3.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -4.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -4.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -3.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 -3.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1884 -5.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 5.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2584 4.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 4.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 4.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 5.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7301 4.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5549 4.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9818 5.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 6.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 6.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 5.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2101 3.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0265 3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1264 3.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6298 4.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8133 4.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1109 3.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 3.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 2.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 2.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6581 3.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 -5.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -5.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4813 -6.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 -5.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1133 -5.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3665 -4.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0064 -5.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -5.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -6.5167 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 22 1 0 0 0 0 38 42 1 0 0 0 0 42 43 1 0 0 0 0 44 29 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 53 1 0 0 0 0 50 54 1 0 0 0 0 21 48 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 59 1 0 0 0 0 62 65 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 67 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 76 71 1 0 0 0 0 74 77 1 0 0 0 0 66 54 1 0 0 0 0 43 55 1 0 0 0 0 78 79 1 1 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 78 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 78 86 1 0 0 0 0 79 87 1 0 0 0 0 80 88 1 0 0 0 0 81 77 1 0 0 0 0 89 90 1 1 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 89 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 89 97 1 0 0 0 0 90 98 1 0 0 0 0 91 99 1 0 0 0 0 92 65 1 0 0 0 0 S SKP 8 ID FL7AAGGL0058 KNApSAcK_ID C00014809 NAME Preternatin A3 CAS_RN 215378-82-8 FORMULA C63H73O36 EXACTMASS 1405.388153728 AVERAGEMASS 1406.23212 SMILES C(C(O)8)(C(O)C(OC8COC(=O)C=Cc(c9)ccc(OC(O%10)C(O)C(O)C(C(CO)%10)O)c9)Oc(c(O)1)cc(c(c(OC(C(O)7)OC(CO)C(O)C7O)5)[o+1]c(c6)c(c(cc(O)6)O)c5)cc1OC(C4O)OC(C(C4O)O)COC(=O)C=Cc(c2)ccc(OC(O3)C(O)C(O)C(C(CO)3)O)c2)O M END