Mol:FL5FDFGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 1.7516 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -0.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 2.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 3.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 -1.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0126 -3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -2.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8789 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 -2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 -2.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -2.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -3.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -3.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 -2.0900 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 21 23 1 0 0 0 0 22 24 1 0 0 0 0 20 25 1 0 0 0 0 18 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 19 1 0 0 0 0 S SKP 8 ID FL5FDFGS0001 KNApSAcK_ID C00013940 NAME Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside;2-(3,4-Dimethoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 196942-96-8 FORMULA C25H28O12 EXACTMASS 520.15807636 AVERAGEMASS 520.48262 SMILES OC(C1OC(=C2c(c4)cc(OC)c(OC)c4)C(c(c(OC)3)c(cc(OC)c3)O2)=O)C(C(O)C(CO)O1)O M END
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