Mol:FL5FAAGS0113
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 48 52 0 0 0 0 0 0 0 0999 V2000 1.1286 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 0.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 3.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9911 -2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 -1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 -1.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -2.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -2.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5036 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1935 0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 -1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 -2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -1.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 -1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5795 -2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 -2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0076 -2.6110 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 0 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 24 29 1 0 0 0 0 23 30 1 0 0 0 0 22 31 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 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 19 1 0 0 0 0 26 42 1 0 0 0 0 39 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 S SKP 5 ID FL5FAAGS0113 FORMULA C30H32O18 EXACTMASS 680.1588642199999 AVERAGEMASS 680.56428 SMILES C(C1OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)O)(OC(C2O)OC(C(O)C(O)2)C)C(C(O)C(O1)COC(CC(O)=O)=O)O M END
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