LMPK12111802 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 7.6620 13.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 12.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5915 12.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5214 12.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5214 13.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5915 14.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4508 12.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3804 12.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3804 13.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4508 14.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4508 11.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 14.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2569 13.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2044 14.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2044 15.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2569 15.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 15.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1516 15.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0389 11.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5915 10.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1093 13.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6312 14.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9865 13.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3660 13.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1242 13.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5799 13.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4917 13.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9475 13.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4917 14.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5799 14.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8573 13.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9465 12.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9113 11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2506 9.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6836 7.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3880 10.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1217 7.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1736 10.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1277 10.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2965 9.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5130 8.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5588 9.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7752 8.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4802 12.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3886 11.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7248 9.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0353 9.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1578 8.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8636 10.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6482 11.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6043 11.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7722 10.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9878 9.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1559 8.5364 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 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 28 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 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 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 34 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 39 20 1 1 0 0 22 45 1 0 0 0 0 M END > LMPK12111802 > Kaempferol 3-caffeylsophoroside > > C36H36O19 > 772.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > WWDDIZKMYOSFSR-VZZHVYOJSA-N > InChI=1S/C36H36O19/c37-12-22-26(45)29(48)33(53-24(44)8-2-14-1-7-18(41)19(42)9-14)35(51-22)55-34-30(49)27(46)23(13-38)52-36(34)54-32-28(47)25-20(43)10-17(40)11-21(25)50-31(32)15-3-5-16(39)6-4-15/h1-11,22-23,26-27,29-30,33-43,45-46,48-49H,12-13H2/b8-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5C=CC(O)=C(O)C=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44258874 > - > - > - > - > - > 33090 > - $$$$