Mol:FL5FACGS0096
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 3.5082 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5082 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2226 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2226 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 -2.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8145 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5082 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1402 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7275 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5483 0.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2646 0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8145 0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8691 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3912 1.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8714 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 1.8094 0.0000 C 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 25 29 1 0 0 0 0 24 30 1 0 0 0 0 23 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 26 18 1 0 0 0 0 S SKP 8 ID FL5FACGS0096 KNApSAcK_ID C00013868 NAME Quercetin 7-(6''-acetylglucoside);7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one CAS_RN 72659-74-6 FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES OC(C1O)C(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)ccc(c2O)O)OC(COC(C)=O)C1O M END