Mol:FL5FAAGL0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -3.9520 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 1.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5081 1.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 2.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3326 0.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 -0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 -0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 -0.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 -0.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9629 -2.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 0.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 -0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 1.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0959 0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 -0.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -0.4388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9236 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 -0.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 -0.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 -1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3685 -1.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 -2.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 -1.8113 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 26 21 1 0 0 0 0 25 30 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 30 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 47 1 0 0 0 0 46 48 1 0 0 0 0 45 49 1 0 0 0 0 42 28 1 0 0 0 0 22 50 1 0 0 0 0 50 51 1 0 0 0 0 44 52 1 0 0 0 0 52 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 55 M SMT 1 CH2OH M SBV 1 55 -5.2998 4.2201 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 52 53 M SBL 2 1 57 M SMT 2 CH2OH M SBV 2 57 -5.0857 4.8207 S SKP 8 ID FL5FAAGL0026 KNApSAcK_ID C00005213 NAME Kaempferol 3-(3G-glucosylneohesperidoside);Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-glucoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 28140-19-4 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES Oc(c61)cc(O)cc1OC(=C(C6=O)OC(C(OC(C5O)OC(C)C(C5O)O)3)OC(CO)C(O)C3OC(C(O)4)OC(CO)C(O)C4O)c(c2)ccc(c2)O M END