Mol:FL5FACGS0095
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 5.2475 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2475 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -2.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2475 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 -0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 -0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8187 -0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1279 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 -0.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -0.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -0.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3745 0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7792 1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5704 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7637 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1657 0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 -0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5538 0.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1676 1.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3911 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1981 2.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 0.7317 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 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 34 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 29 1 0 0 0 0 26 18 1 0 0 0 0 S SKP 8 ID FL5FACGS0095 KNApSAcK_ID C00013867 NAME Quercetin 7-(6''-galloylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 231289-25-1 FORMULA C28H24O16 EXACTMASS 616.1064347199999 AVERAGEMASS 616.48056 SMILES c(c1OC(O4)C(C(C(O)C(COC(=O)c(c5)cc(O)c(c(O)5)O)4)O)O)c(O2)c(C(=O)C(O)=C(c(c3)ccc(c3O)O)2)c(c1)O M END