Mol:FL3FADCS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.7739 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7739 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0594 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0594 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -2.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5485 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2185 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 0.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0064 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5485 2.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5472 0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0594 -3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1283 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6517 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9652 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3846 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6677 0.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2507 -0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5843 2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 1.5206 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 1 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 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 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 6 23 1 0 0 0 0 3 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 28 1 0 0 0 0 39 40 1 0 0 0 0 17 39 1 0 0 0 0 41 42 1 0 0 0 0 25 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 -0.3762 -0.7471 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 -0.4773 -0.4773 S SKP 5 ID FL3FADCS0005 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c24)c(cc(c(C(=O)C=C(O4)c(c3)ccc(c3OC)O)2)O)O)1 M END
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