Mol:FL5FDCGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 4.8724 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3014 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 -0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 -0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 0.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6545 0.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -0.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 -0.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8486 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6377 -0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8442 -0.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2568 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7035 0.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1963 0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3014 -0.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -1.0837 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 19 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 18 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 32 1 0 0 0 0 S SKP 8 ID FL5FDCGS0015 KNApSAcK_ID C00013902 NAME Quercetin 3-methyl ether 7-galactosyl-(1->4)-glucoside;2-(3,4-Dihydroxyphenyl)-7-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one CAS_RN 475587-76-9 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES c(c1C(=C5OC)Oc(c(C5=O)2)cc(OC(C(O)3)OC(CO)C(OC(O4)C(O)C(C(O)C4CO)O)C3O)cc2O)cc(c(c1)O)O M END