Mol:FL3FACGS0066
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 0.2046 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 -0.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 -1.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 -0.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8388 0.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 0.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3693 -1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 -0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1731 -1.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 -1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 0.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 1.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3474 1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 1.9041 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 16 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 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 32 28 1 0 0 0 0 25 19 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 35 38 1 0 0 0 0 S SKP 8 ID FL3FACGS0066 KNApSAcK_ID C00004503 NAME Luteolin 7-[6''-(2-methylbutyryl)glucoside];2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 144599-14-4 FORMULA C26H28O12 EXACTMASS 532.15807636 AVERAGEMASS 532.49332 SMILES c(c3)(c(c(O)cc(OC(O4)C(O)C(C(C4COC(=O)C(CC)C)O)O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O M END
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