Mol:FL3FECGS0020
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 39 42 0 0 0 0 0 0 0 0999 V2000 0.4222 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4222 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8732 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8732 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 -0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 -1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6773 -0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 -0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5968 -0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5968 0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6773 0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8732 -1.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -1.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1517 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 -0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -1.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -1.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0848 0.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2043 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6839 1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 0.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6839 1.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 -0.4465 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 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 2 0 0 0 0 35 37 1 0 0 0 0 33 38 2 0 0 0 0 23 39 1 0 0 0 0 S SKP 8 ID FL3FECGS0020 KNApSAcK_ID C00004395 NAME 6-Hydroxyluteolin 7-(6''-malonylglucoside) CAS_RN 98767-37-4 FORMULA C24H22O15 EXACTMASS 550.095870034 AVERAGEMASS 550.42248 SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(O2)c(c4O)C(=O)C=C2c(c3)cc(c(c3)O)O)C(C(O)1)O M END
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