Mol:FL5FACGS0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 1.1147 4.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 3.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 3.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 4.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 4.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 3.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 3.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 3.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 1.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 4.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 3.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 -0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2093 -0.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 -0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3535 -0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5703 -2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1143 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4746 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0601 -2.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 -2.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 -1.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 -3.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3913 -4.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 -2.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 -3.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 -3.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3416 -4.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 -4.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1163 -3.8754 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 19 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 37 33 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 44 1 0 0 0 0 S SKP 8 ID FL5FACGS0076 KNApSAcK_ID C00013848 NAME Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one CAS_RN 197250-97-8 FORMULA C33H40O22 EXACTMASS 788.201122964 AVERAGEMASS 788.6575 SMILES O(C1OC(C(O)6)C(OC(C6O)CO)OC(=C(c(c5)ccc(O)c5O)3)C(=O)c(c4O)c(cc(O)c4)O3)C(CO)C(O)C(C(OC(O2)C(O)C(O)C(O)C2CO)1)O M END