Mol:FL3FAAGS0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.4810 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9479 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9479 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 0.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 -2.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 -2.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2751 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5148 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9796 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6429 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2751 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 -0.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7907 0.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 1.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 2.0976 0.0000 C 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 26 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 S SKP 5 ID FL3FAAGS0013 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES OC(C(O)1)C(O)C(C(=O)OCC)OC1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O M END
</pre>