LMPK12111826 LIPID_MAPS_STRUCTURE_DATABASE 67 73 0 0 0 0 0 0 0 0999 V2000 8.9166 9.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 8.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8151 7.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7135 8.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7135 9.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8151 9.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6116 7.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 8.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 9.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6116 9.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6116 7.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6413 10.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5569 9.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4724 10.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4724 11.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5569 11.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6413 11.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8151 6.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2080 11.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2499 10.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4578 7.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 8.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2938 7.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 8.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 7.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 7.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 7.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 8.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 8.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0974 7.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1129 5.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5426 4.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7102 12.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5376 12.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8594 10.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2843 10.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3166 8.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1200 11.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8711 11.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7866 11.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9474 10.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1963 10.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3571 9.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9600 9.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7874 8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1093 6.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5341 6.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5664 5.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3698 7.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1209 8.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0364 7.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1973 6.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4462 6.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6071 5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 9.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 10.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 12.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5471 11.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9639 13.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4564 10.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 10.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 10.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8673 11.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7535 12.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8464 13.0720 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 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 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 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 33 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 21 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 62 20 1 1 0 0 63 57 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 57 22 1 0 0 0 0 M END > LMPK12111826 > Kaempferol 3,4'-diglucoside-7-(2''-ferulylglucoside) > 3,5,7,4'-Tetrahydroxyflavone 3,4'-diglucoside-7- (2"-ferulylglucoside) > C43H48O24 > 948.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SJOFKYITWVGVEV-YDGQQEEZSA-N > InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)61-19-11-21(48)28-23(12-19)62-38(39(32(28)53)67-42-37(58)34(55)30(51)25(14-45)64-42)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3+/t24-,25-,26-,29-,30-,31-,33+,34+,35+,36-,37-,40-,41-,42+,43-/m1/s1 > C1(O[C@H]2[C@H](OC(/C=C/C3C=CC(O)=C(OC)C=3)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 21626413 > - > - > - > - > - > 33090; 4683 > - $$$$