Mol:FL5FACGA0032
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -3.9512 1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 1.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 -0.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 1.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 0.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7595 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 2.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 -0.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 1.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 -0.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 -1.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 -1.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 -1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 3.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -2.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 -2.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -3.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 -1.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 16 36 1 0 0 0 0 35 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 35 1 0 0 0 0 39 42 1 0 0 0 0 38 43 1 0 0 0 0 40 44 1 0 0 0 0 S SKP 8 ID FL5FACGA0032 KNApSAcK_ID C00005951 NAME Quercetin 3-(6''-galloylgalactoside) CAS_RN 53171-28-1 FORMULA C28H24O16 EXACTMASS 616.1064347199999 AVERAGEMASS 616.48056 SMILES c(c1)(O)cc(c(C(=O)3)c1OC(=C(OC(C5O)OC(C(O)C5O)COC(=O)c(c4)cc(O)c(c(O)4)O)3)c(c2)ccc(c2O)O)O M END