Mol:FL5FAAGL0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 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 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 | + | -3.9520 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 | + | -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 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 | + | -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 | + | -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 | + | -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 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 | + | -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 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 | + | -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 | + | -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 | + | -0.6037 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 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 | + | -0.0367 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 | + | -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 | + | -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 | + | -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 | + | -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 | + | 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 | + | -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 | + | 0.0705 -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 | + | 0.7959 -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 | + | 0.2745 -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 | + | 0.0963 -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 | + | -0.6292 -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 | + | -0.1078 -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 | + | 0.8079 -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 | + | 0.9629 -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 | + | -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 | + | 1.0853 -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 | + | 1.7860 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 | + | 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 | + | 0.7966 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 | + | 0.0959 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 | + | 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 | + | 1.2748 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 3.2814 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 0.3685 -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 | + | 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 | + | 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 | + | 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 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 46 48 1 0 0 0 0 | + | 46 48 1 0 0 0 0 |
| − | 45 49 1 0 0 0 0 | + | 45 49 1 0 0 0 0 |
| − | 42 28 1 0 0 0 0 | + | 42 28 1 0 0 0 0 |
| − | 22 50 1 0 0 0 0 | + | 22 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 50 51 | + | M SAL 1 2 50 51 |
| − | M SBL 1 1 55 | + | M SBL 1 1 55 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 55 -5.2998 4.2201 | + | M SBV 1 55 -5.2998 4.2201 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 52 53 | + | M SAL 2 2 52 53 |
| − | M SBL 2 1 57 | + | M SBL 2 1 57 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 57 -5.0857 4.8207 | + | M SBV 2 57 -5.0857 4.8207 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGL0026 | + | ID FL5FAAGL0026 |
| − | KNApSAcK_ID C00005213 | + | 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 | + | 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 | + | CAS_RN 28140-19-4 |
| − | FORMULA C33H40O20 | + | FORMULA C33H40O20 |
| − | EXACTMASS 756.21129372 | + | EXACTMASS 756.21129372 |
| − | AVERAGEMASS 756.6587 | + | 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 | + | 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 | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
