Mol:FL5FAAGS0026
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -0.9490 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -0.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 1.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8079 2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 -0.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2844 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5668 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 0.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2275 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2275 -0.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7579 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6353 -2.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1454 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5245 -1.7230 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 19 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 21 1 0 0 0 0 S SKP 5 ID FL5FAAGS0026 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES OC(C(O)5)C(OCC5O)Oc(c4)cc(O)c(c43)C(=O)C(=C(O3)c(c2)ccc(c2)O)OC(C(O)1)OC(C)C(C1O)O M END
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