Mol:FL7AAIGL0032
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 91 99 0 0 0 0 0 0 0 0999 V2000 -1.0071 3.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2826 4.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2826 5.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 5.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 5.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 4.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 3.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 4.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 5.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 5.5470 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.9328 5.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6181 5.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 5.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6181 6.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 6.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 5.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 3.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 3.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6181 7.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 8.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 5.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 3.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 2.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2992 3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 3.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 3.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5617 4.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 4.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6255 3.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 2.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 2.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2594 3.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 3.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4483 3.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0296 3.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 3.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6047 3.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7588 3.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 2.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 1.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5945 -0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5881 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8117 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 0.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -0.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 -0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3286 0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 -0.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 0.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6983 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 -0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5323 -0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 -0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7751 -0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 -3.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 -3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 -1.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 -1.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 -2.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -1.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -4.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 -3.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2689 -3.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 -3.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 -3.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -3.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 -4.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 -5.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 -6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3524 -6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7649 -6.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3524 -7.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 -7.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1148 -6.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4069 -6.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 -8.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 5.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8117 -6.0580 0.0000 C 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 3 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 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 19 27 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 20 36 1 0 0 0 0 35 41 1 0 0 0 0 40 42 1 0 0 0 0 39 43 1 0 0 0 0 38 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 45 50 1 0 0 0 0 49 52 1 0 0 0 0 48 53 1 0 0 0 0 46 54 1 0 0 0 0 47 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 60 1 0 0 0 0 63 66 1 0 0 0 0 67 68 1 1 0 0 0 68 69 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 67 1 0 0 0 0 69 73 1 0 0 0 0 67 74 1 0 0 0 0 68 75 1 0 0 0 0 66 70 1 0 0 0 0 72 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 83 84 1 0 0 0 0 84 85 2 0 0 0 0 85 86 1 0 0 0 0 86 87 2 0 0 0 0 87 82 1 0 0 0 0 84 88 1 0 0 0 0 85 89 1 0 0 0 0 23 90 1 0 0 0 0 88 91 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAIGL0032 FORMULA C60H69O31 EXACTMASS 1285.38228049 AVERAGEMASS 1286.17126 SMILES c(c4OC(O5)C(O)C(C(C(COC(O6)C(O)C(C(OC(C=Cc(c9)ccc(c9)OC(C7O)OC(COC(C=Cc(c8)ccc(O)c8OC)=O)C(C7O)O)=O)C6C)O)5)O)O)([o+1]c(c(c4)2)cc(cc2OC(O3)C(O)C(O)C(C3CO)O)O)c(c1)cc(OC)c(c(OC)1)O M END
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