LMPK12111945 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 12.1717 17.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1717 16.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0784 16.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9848 16.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9848 17.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0784 18.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2652 16.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 16.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 16.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 15.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 14.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2652 15.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 16.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 16.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 15.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 14.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 13.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 16.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0345 14.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7470 18.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 13.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6575 14.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2151 15.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6980 14.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2950 15.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3453 15.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7820 14.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8242 14.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4289 15.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9917 16.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9495 16.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4717 15.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2693 9.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 10.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6864 10.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8423 14.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0026 12.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3573 10.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2907 13.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8067 10.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1157 13.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0196 13.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0987 12.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2760 11.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3721 12.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5494 11.7823 0.0000 C 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 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 41 19 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 40 34 1 0 0 0 0 36 22 1 0 0 0 0 M END > LMPK12111945 > Kaempferol 3-(2''-(E)-p-coumaroyl-6''-acetylglucoside) > > C32H28O14 > 636.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Dentatiflavonoid > DZZUKFUCKPKSOR-GIHLAAEWSA-N > InChI=1S/C32H28O14/c1-15(33)42-14-23-26(39)28(41)31(45-24(38)11-4-16-2-7-18(34)8-3-16)32(44-23)46-30-27(40)25-21(37)12-20(36)13-22(25)43-29(30)17-5-9-19(35)10-6-17/h2-13,23,26,28,31-32,34-37,39,41H,14H2,1H3/b11-4+/t23-,26-,28+,31-,32+/m1/s1 > C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](OC(/C=C/C3C=CC(O)=CC=3)=O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 44259015 > - > - > - > - > - > 33090 > - $$$$