Mol:FL5FACGS0106
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 2.2685 2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 3.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 3.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 4.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 3.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 3.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 3.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 3.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 3.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 1.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 0.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 4.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 5.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6226 -0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 -0.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 -1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 -0.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2714 -2.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 -2.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 -2.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5559 -1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 -2.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 -2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6688 -2.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2714 -3.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -2.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0267 -3.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 -4.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 -3.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2092 -4.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -4.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 -3.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 -3.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -4.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 -5.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 -5.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5069 -4.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 -3.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5749 -3.1019 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 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 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 26 19 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 52 55 1 0 0 0 0 51 56 1 0 0 0 0 56 57 1 0 0 0 0 45 44 1 0 0 0 0 S SKP 8 ID FL5FACGS0106 KNApSAcK_ID C00013878 NAME Quercetin 3-(2'''-feruloylsophoroside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 219745-01-4 FORMULA C37H38O20 EXACTMASS 802.1956436559999 AVERAGEMASS 802.68562 SMILES C(OC(=O)C=Cc(c6)ccc(c6OC)O)(C(OC(C(OC(C(=O)3)=C(c(c5)ccc(c(O)5)O)Oc(c4)c(c(cc4O)O)3)2)C(O)C(O)C(O2)CO)1)C(C(O)C(O1)CO)O M END