Mol:FL3FAACS0018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -1.5017 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7873 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7873 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 -0.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 -2.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3324 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9936 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3986 0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3771 2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 0.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7873 -2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8217 -1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3449 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6585 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4775 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 -1.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9239 -2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -2.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 1.5574 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 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 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 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 2 1 0 0 0 0 39 40 1 0 0 0 0 18 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -0.5089 -0.5089 S SKP 5 ID FL3FAACS0018 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O M END
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