Mol:FL5FAAGI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -3.9522 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0933 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0933 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6666 0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 2.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -0.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -1.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 2.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -2.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 -2.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 -1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 -1.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -0.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -1.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2921 -1.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -2.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 -3.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1425 -0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 -1.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 -0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 -1.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -1.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 -1.0395 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 27 1 1 0 0 0 32 33 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 29 36 1 0 0 0 0 31 20 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 40 45 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 5 ID FL5FAAGI0004 FORMULA C31H36O14 EXACTMASS 632.21050586 AVERAGEMASS 632.60914 SMILES OC(C(O)1)C(OC(C5O)OCC(C5O)O)C(OC(=C3c(c4)ccc(c4)O)C(c(c2O)c(O3)c(CC=C(C)C)c(O)c2)=O)OC1C M END
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