LMPK12110573 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 13.7479 14.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8548 15.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8548 16.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7479 16.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6410 16.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6410 15.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9617 14.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0685 15.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 14.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 13.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0685 12.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9617 13.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2823 15.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3892 14.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3892 13.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2823 12.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0685 12.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 15.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7104 12.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2823 12.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3810 16.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7479 17.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0473 7.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7845 6.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0411 7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3038 8.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2975 9.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0295 8.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0246 8.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2879 9.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5558 10.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5606 10.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2815 9.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7557 7.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2701 11.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9225 9.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0451 9.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5173 9.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5649 11.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3314 11.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1558 10.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2172 9.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4506 10.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5119 10.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2434 8.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2292 6.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4915 5.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6398 7.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5115 8.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3746 7.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3660 6.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4973 6.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6342 6.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6226 11.6125 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 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 38 44 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 40 35 1 6 0 0 41 36 1 1 0 0 42 37 1 6 0 0 53 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 0 0 0 49 38 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 1 0 0 45 23 1 0 0 0 0 43 54 1 0 0 0 54 39 1 0 0 0 39 19 1 1 0 0 M END > LMPK12110573 > Monepalin B > > C35H34O19 > 758.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Quercetin 3-(2''-(E)-caffeoyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside > PVBWGKHXCFEXOO-DPSCSCCYSA-N > InChI=1S/C35H34O19/c36-15-9-20(41)25-22(10-15)51-31(14-3-5-17(38)19(40)8-14)32(28(25)46)54-34-30(48)29(47)27(45)23(52-34)12-50-35-33(26(44)21(42)11-49-35)53-24(43)6-2-13-1-4-16(37)18(39)7-13/h1-10,21,23,26-27,29-30,33-42,44-45,47-48H,11-12H2/b6-2+/t21-,23+,26-,27+,29-,30+,33+,34-,35-/m0/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@@H]2O[C@H](CO[C@H]3[C@H](OC(/C=C/C4C=CC(O)=C(O)C=4)=O)[C@@H](O)[C@@H](O)CO3)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 178336027 > - > - > - > - > - > 33090 > - $$$$