Mol:FL5FADGL0015
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -1.6648 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2351 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2352 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 -1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 0.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -1.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0946 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0946 1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 -1.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 2.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 0.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 -1.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1385 -1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -2.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 -2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4413 -1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 -2.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9534 0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4674 1.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4582 2.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8603 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7584 1.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5384 0.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 -3.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 2.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 3.8715 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 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 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 21 23 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 35 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 31 40 1 0 0 0 0 32 20 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 43 44 1 0 0 0 0 16 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -0.5904 0.2905 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 OCH3 M SBV 2 48 0.0057 -0.6976 S SKP 5 ID FL5FADGL0015 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES OC(C1Oc(c5)cc(c3c5O)OC(c(c4)cc(OC)c(O)c4)=C(C3=O)OC(O2)C(C(C(O)C2CO)O)O)C(C(C(O1)C)O)O M END
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