LMPK12111749 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 7.3295 -6.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3295 -7.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1589 -7.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 -7.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 -6.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1589 -6.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8176 -7.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6469 -7.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6469 -6.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8176 -6.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8176 -8.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 -6.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3209 -6.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1661 -6.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1661 -5.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3209 -4.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 -5.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1589 -8.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -6.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0110 -4.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8896 -8.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1039 -11.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1866 -12.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7549 -9.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6261 -12.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7173 -9.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5001 -10.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3208 -11.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3623 -11.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5794 -10.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6206 -11.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9362 -10.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1606 -9.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3451 -8.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5697 -8.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6038 -8.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4193 -9.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2003 -10.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3055 -8.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7541 -7.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8280 -7.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4589 -9.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9237 -10.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5552 -12.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3646 -14.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8254 -13.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4508 -15.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9185 -12.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8284 -11.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6454 -12.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5500 -13.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6401 -13.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5448 -14.8573 0.0000 C 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 21 8 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 28 22 1 1 0 0 29 23 1 6 0 0 26 21 1 1 0 0 27 42 1 6 0 0 34 39 1 1 0 0 35 40 1 6 0 0 36 41 1 6 0 0 37 42 1 1 0 0 33 32 1 6 0 0 34 33 1 0 0 0 35 34 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 38 37 1 0 0 0 33 38 1 0 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 1 0 0 48 22 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 M END > LMPK12111749 > Kaempferol 3-(3G-glucosylneohesperidoside) > > C33H40O20 > 756.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-glucoside] > ZOSYTGZBPSTVGJ-XNDJRRBESA-N > InChI=1S/C33H40O20/c1-10-19(39)23(43)25(45)31(47-10)53-30-28(51-32-26(46)24(44)20(40)16(8-34)49-32)21(41)17(9-35)50-33(30)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25+,26+,28-,30+,31-,32-,33-/m0/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101756416 > - > - > - > - > - > 33090 > - $$$$