Mol:FL5FAAGS0136
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 2.6872 3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4017 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4017 3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -0.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7169 3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 -0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2337 2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 1.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 2.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 2.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5972 2.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 3.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 1.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 1.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 1.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0716 -1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 -1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9561 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 -0.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 -0.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 -1.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -1.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 -1.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4704 -0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 -2.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 -3.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9158 -1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 -1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 -2.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 -2.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -2.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -3.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -3.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -2.9581 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 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 19 1 0 0 0 0 40 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 47 48 1 1 0 0 0 48 49 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 47 55 1 0 0 0 0 48 56 1 0 0 0 0 49 57 1 0 0 0 0 50 43 1 0 0 0 0 S SKP 8 ID FL5FAAGS0136 KNApSAcK_ID C00013803 NAME Kaempferol 3-glucosyl-(1->2)-(6''-acetylgalactoside)-7-glucoside;3-[(6-O-Acetyl-2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 382141-37-9 FORMULA C35H42O22 EXACTMASS 814.216773028 AVERAGEMASS 814.69478 SMILES C(OC(C(O)2)C(OC(C(=O)6)=C(Oc(c64)cc(OC(C(O)5)OC(CO)C(C5O)O)cc(O)4)c(c3)ccc(c3)O)OC(COC(C)=O)C(O)2)(C(O)1)OC(C(O)C(O)1)CO M END
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