Mol:FL5FACGS0082
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 2.6573 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6295 2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6782 3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7148 2.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 2.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 2.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 2.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5951 3.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 3.4818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7148 2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2677 2.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 1.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -3.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1161 -3.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 -2.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9479 -1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1227 -1.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 -2.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 -2.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -3.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6636 -3.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 -1.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0832 -0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2999 -0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 -0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5504 -0.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -1.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 -0.9966 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 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 47 55 1 0 0 0 0 48 19 1 0 0 0 0 37 55 1 0 0 0 0 S SKP 8 ID FL5FACGS0082 KNApSAcK_ID C00013854 NAME Quercetin 3-glucosyl-(1->2)-galactoside-7-glucoside;2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one CAS_RN 382143-42-2 FORMULA C33H40O22 EXACTMASS 788.201122964 AVERAGEMASS 788.6575 SMILES c(c6O)cc(cc6O)C(O3)=C(C(=O)c(c(O)4)c3cc(OC(C(O)5)OC(CO)C(O)C5O)c4)OC(O2)C(C(C(O)C2CO)O)OC(C1O)OC(CO)C(C1O)O M END