Mol:FL3FADGS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.4387 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -0.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -0.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -2.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7059 -0.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 -0.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7059 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -2.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6532 0.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 -0.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0088 -0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8061 -0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 -0.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9424 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1639 -0.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8818 -1.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 -1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4705 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 -2.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -2.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2678 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8485 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 -1.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6532 -2.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 -2.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 1.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 2.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 1.7451 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 30 31 1 0 0 0 0 34 29 1 0 0 0 0 24 20 1 0 0 0 0 39 40 1 0 0 0 0 16 39 1 0 0 0 0 41 42 1 0 0 0 0 26 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 OCH3 M SBV 1 44 0.0000 -0.7238 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 ^ CH2OH M SBV 2 46 0.5418 -1.0102 S SKP 5 ID FL3FADGS0007 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES O(C(c(c5)cc(OC)c(c5)O)=4)c(c3C(=O)C4)cc(cc3O)OC(O2)C(C(C(O)C(CO)2)O)OC(O1)C(C(C(C1)O)O)O M END
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