Mol:FL3FACGS0018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 64 70 0 0 0 0 0 0 0 0999 V2000 0.7264 -1.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 -2.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 -2.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 -1.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 -0.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -1.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -2.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 -3.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 -3.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5843 -1.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5843 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 -1.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7918 2.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7918 2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1699 1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 2.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 2.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 2.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 2.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 3.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3303 -2.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -2.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 -2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -2.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 -3.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0101 -3.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8097 -2.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7891 -2.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2177 -0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8052 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 -1.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 -0.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5801 -0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6944 -0.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 3.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2143 1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4299 1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2623 2.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 0.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 0.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 3.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 3.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4919 2.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2385 3.4805 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 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 2 1 0 0 0 0 5 11 1 0 0 0 0 3 12 2 0 0 0 0 10 13 1 0 0 0 0 8 48 1 0 0 0 0 11 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 16 60 1 0 0 0 0 15 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 22 26 1 0 0 0 0 23 59 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 35 47 1 0 0 0 0 34 37 1 0 0 0 0 33 38 1 0 0 0 0 32 39 1 0 0 0 0 31 40 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 43 47 1 0 0 0 0 44 48 1 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 46 51 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 1 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 55 59 1 0 0 0 0 56 60 1 0 0 0 0 53 61 1 0 0 0 0 54 62 1 0 0 0 0 58 63 1 0 0 0 0 63 64 1 0 0 0 0 S SKP 5 ID FL3FACGS0018 FORMULA C39H50O25 EXACTMASS 918.26411715 AVERAGEMASS 918.7993 SMILES C(C(=O)4)=C(c(c7)cc(c(c7)OC(O5)C(OC(C6O)OC(CO)C(C6O)O)C(O)C(C5CO)O)O)Oc(c43)cc(cc3O)OC(O1)C(OC(O2)C(O)C(O)C(O)C2C)C(C(O)C1CO)O M END
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