Mol:FL5FACGS0106
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 57 62 0 0 0 0 0 0 0 0999 V2000 | + | 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 | + | 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 | + | 1.5541 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 | + | 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 | + | 2.2685 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 3.9707 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 | + | 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 | + | 0.8396 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 | + | 0.1251 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 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 | + | -0.5894 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 | + | 0.1251 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 | + | 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 | + | -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 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 | + | -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 | + | -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 | + | 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 | + | -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 | + | 1.4386 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 | + | -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 | + | 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 | + | 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 | + | -0.0515 -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 | + | 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 | + | 1.1016 -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 | + | 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 | + | 0.9603 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 | + | 0.6226 -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 | + | 0.0678 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 | + | -0.4488 -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 | + | -0.0515 -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 | + | 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 | + | 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 | + | -0.2714 -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 | + | 0.5441 -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 | + | 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 | + | 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 | + | 0.7403 -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 | + | 0.4027 -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 | + | -0.1521 -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 | + | -0.6688 -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 | + | -0.2714 -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 | + | 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 | + | 1.2727 -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 | + | 1.0267 -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 | + | 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 | + | 0.2028 -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 | + | -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 | + | -1.0330 -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 | + | -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 | + | -2.2705 -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 | + | -2.6830 -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 | + | -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 | + | -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 | + | -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 | + | -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 | + | -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 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 54 49 1 0 0 0 0 | + | 54 49 1 0 0 0 0 |
| − | 52 55 1 0 0 0 0 | + | 52 55 1 0 0 0 0 |
| − | 51 56 1 0 0 0 0 | + | 51 56 1 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 45 44 1 0 0 0 0 | + | 45 44 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0106 | + | ID FL5FACGS0106 |
| − | KNApSAcK_ID C00013878 | + | 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 | + | 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 | + | CAS_RN 219745-01-4 |
| − | FORMULA C37H38O20 | + | FORMULA C37H38O20 |
| − | EXACTMASS 802.1956436559999 | + | EXACTMASS 802.1956436559999 |
| − | AVERAGEMASS 802.68562 | + | 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 | + | 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 | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
