Mol:FL7AAAGL0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 122133 0 0 0 0 0 0 0 0999 V2000 3.4757 1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 1.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 3.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 1.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 3.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 1.7945 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.5579 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 1.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 1.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1671 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 -1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3153 -0.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 -0.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 -1.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -1.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 -1.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 -3.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -2.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 -1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5444 -1.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 -0.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1897 0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4566 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 1.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9054 0.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6642 -0.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3027 1.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3767 2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6182 3.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 -3.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -3.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 -2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7771 -2.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9926 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -1.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 -3.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4182 -3.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1173 -4.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 -3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5459 -4.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -4.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 -5.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -4.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0023 -5.9764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0181 -5.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8865 3.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 3.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5402 4.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8367 4.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1795 4.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 5.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 5.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 5.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 4.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 5.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0521 4.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 4.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1742 4.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 3.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 4.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 4.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 3.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 3.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8908 4.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 4.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 5.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -4.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6243 -5.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 -4.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7084 -5.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 -4.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 -4.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 -5.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -4.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6399 -4.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3541 -4.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -3.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 -2.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -2.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8804 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4725 0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2814 -0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4981 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6508 0.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3927 0.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0235 1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1277 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 2.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4704 2.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3662 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0542 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5466 0.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 1.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1049 2.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 3.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6703 3.9294 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 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0 0 0 63 58 1 0 0 0 0 62 64 1 0 0 0 0 61 65 1 0 0 0 0 49 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 70 1 0 0 0 0 73 76 1 0 0 0 0 74 77 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 77 81 1 0 0 0 0 80 84 1 0 0 0 0 79 85 1 0 0 0 0 78 86 1 0 0 0 0 83 87 1 0 0 0 0 87 88 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 65 92 1 0 0 0 0 91 95 1 0 0 0 0 90 96 1 0 0 0 0 89 97 1 0 0 0 0 94 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 100102 1 0 0 0 0 102103 2 0 0 0 0 103104 1 0 0 0 0 104105 2 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 107108 1 0 0 0 0 108109 2 0 0 0 0 109104 1 0 0 0 0 107110 1 0 0 0 0 106111 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 117112 1 0 0 0 0 111112 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 121122 1 0 0 0 0 M CHG 1 9 1 S SKP 5 ID FL7AAAGL0052 FORMULA C78H89O44 EXACTMASS 1729.472671216 AVERAGEMASS 1730.51486 SMILES C(C(O)1)(C(O)C(COC(=O)C=Cc(c%11)ccc(O)c(OC(C(O)%12)OC(CO)C(O)C(O)%12)%11)OC1OC(C%10O)C(OC(C(O)%10)COC(C=Cc(c9)cc(c(c9)OC(C6O)OC(COC(C=Cc(c7)ccc(c(OC(C8O)OC(C(C(O)8)O)CO)7)O)=O)C(C(O)6)O)O)=O)Oc(c2)c(c(c5)ccc(c5)O)[o+1]c(c3)c2c(OC(C(O)4)OC(C(O)C(O)4)CO)cc3O)O M END