Mol:FL5FAGGS0029
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 1.3240 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 2.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 3.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 3.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 3.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 2.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 2.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 2.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 0.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 2.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 0.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 3.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 4.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 1.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 -1.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0096 -1.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 -2.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -3.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 -3.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 -2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 -1.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 -3.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3953 -4.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 -2.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 -1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1439 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 -0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 -0.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 -0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1737 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 -1.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 -1.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 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 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 26 34 1 0 0 0 0 34 35 2 0 0 0 0 24 34 1 0 0 0 0 36 37 1 1 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 39 19 1 0 0 0 0 24 38 1 0 0 0 0 S SKP 8 ID FL5FAGGS0029 KNApSAcK_ID C00013971 NAME Myricetin 3-(2''-galloylglucoside);5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 334475-75-1 FORMULA C28H24O17 EXACTMASS 632.101349342 AVERAGEMASS 632.47996 SMILES O=C(c(c5)cc(O)c(O)c5O)OC(C(OC(C3=O)=C(c(c4)cc(c(c4O)O)O)Oc(c23)cc(cc2O)O)1)C(O)C(C(CO)O1)O M END
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