Mol:FL3FECGS0039
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.5852 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8435 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8435 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 0.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4424 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4423 1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7142 1.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 0.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1703 1.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8162 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4961 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6424 -0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2468 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9173 0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 2.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6855 0.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 1.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 1.2578 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 19 1 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 26 30 1 0 0 0 0 16 31 1 0 0 0 0 30 32 2 0 0 0 0 33 34 1 0 0 0 0 2 33 1 0 0 0 0 35 36 1 0 0 0 0 30 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 ^ OCH3 M SBV 1 37 0.6536 0.3774 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 35 36 M SBL 2 1 39 M SMT 2 OCH3 M SBV 2 39 -0.3790 -0.6565 S SKP 5 ID FL3FECGS0039 FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(OC)c(c(c34)C(=O)C=C(O3)c(c2)ccc(c2O)O)O)1)OC M END
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