Mol:FL3FAAGS0026
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -2.2144 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 -0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 -1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 1.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 1.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 0.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 -2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 1.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3674 1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1359 0.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6852 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 1.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6959 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9483 1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4227 0.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9916 -0.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 1.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 0.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0475 -0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1206 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1317 1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 0.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9483 -0.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 -1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 1.4003 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 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 24 18 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 31 20 1 0 0 0 0 32 33 1 1 0 0 0 39 40 1 0 0 0 0 33 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 CH2OH M SBV 1 44 -0.5013 0.6134 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 0.1951 -0.8293 S SKP 5 ID FL3FAAGS0026 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C(O1)C(O)C(C(O)C(Oc(c2)cc(O)c(C5=O)c2OC(=C5)c(c3)ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)1)O)O M END
</pre>