LMPK12110575 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 999 V2000 15.1343 14.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2447 15.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2447 16.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1343 16.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0239 16.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0239 15.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3550 14.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 15.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 14.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 13.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 13.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3550 13.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 15.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7966 14.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7966 13.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 13.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 12.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9072 15.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1008 13.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 12.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7608 16.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1343 17.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7439 8.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3301 7.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7218 8.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1358 9.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 9.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6769 8.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 8.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 8.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 9.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 9.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0443 8.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2172 7.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7321 12.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5435 10.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7266 9.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0964 11.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1809 9.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0081 12.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8237 11.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7278 10.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8194 10.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0038 10.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0953 10.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2638 14.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2009 14.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6012 13.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4035 11.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9770 11.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6981 12.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9639 13.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9353 13.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6353 12.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3694 11.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0696 11.1697 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 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 39 45 1 0 0 0 44 38 1 0 0 0 38 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 0 0 0 44 45 1 1 0 0 40 19 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 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 0 0 0 55 56 1 1 0 0 51 35 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 23 39 1 0 0 0 M END > LMPK12110575 > Quercetin 3-(6''-caffeoylsophoroside) > > C36H36O20 > 788.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MNQXYDTZVQQBJH-NRZHIGSDSA-N > InChI=1S/C36H36O20/c37-11-22-26(45)29(48)31(50)35(53-22)56-34-30(49)27(46)23(12-51-24(44)6-2-13-1-4-16(39)18(41)7-13)54-36(34)55-33-28(47)25-20(43)9-15(38)10-21(25)52-32(33)14-3-5-17(40)19(42)8-14/h1-10,22-23,26-27,29-31,34-43,45-46,48-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,31-,34-,35+,36+/m1/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(O)C=3)=O)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 102019475 > - > - > - > - > - > 33090 > - $$$$