Mol:FL3FAACS0054
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -1.5334 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5334 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2478 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3788 2.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4366 -0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3788 -0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 -0.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 -0.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 -1.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 -1.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 -1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 -1.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7063 -2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 -2.4687 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 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 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 30 31 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 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 39 1 0 0 0 0 34 29 1 0 0 0 0 24 2 1 0 0 0 0 S SKP 5 ID FL3FAACS0054 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES c(c5)(ccc(c5)C(=C1)Oc(c4)c(c(O)c(c4O)C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(O)C2)C1=O)O M END
</pre>