Mol:FL3FAACS0046
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 42 0 0 0 0 0 0 0 0999 V2000 -1.5294 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3283 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3283 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 0.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2436 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 2.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 0.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 -1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -1.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 -2.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9345 -2.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8286 -1.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 2.8804 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 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 18 13 1 1 0 0 0 18 19 1 0 0 0 0 6 14 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 9 20 1 0 0 0 0 23 26 1 0 0 0 0 3 27 1 0 0 0 0 13 28 1 0 0 0 0 29 30 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 29 1 0 0 0 0 31 35 1 0 0 0 0 30 36 1 0 0 0 0 32 37 1 0 0 0 0 33 2 1 0 0 0 0 17 38 1 0 0 0 0 S SKP 5 ID FL3FAACS0046 FORMULA C25H26O13 EXACTMASS 534.137340918 AVERAGEMASS 534.46614 SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O M END
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