LMPK12111818 LIPID_MAPS_STRUCTURE_DATABASE 67 73 0 0 0 999 V2000 10.8503 12.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8503 11.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7819 11.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7132 11.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7132 12.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7819 13.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6448 11.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5762 11.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5762 12.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6448 13.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6448 10.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5074 13.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4565 12.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4058 13.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4058 14.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4565 14.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5074 14.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7670 12.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3548 14.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2361 11.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7819 10.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0383 12.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4074 12.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0383 11.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 10.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 9.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 9.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 8.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 7.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 8.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 9.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 6.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 7.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 6.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9808 10.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9663 8.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1986 7.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 9.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6176 7.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2189 10.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0969 9.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0883 8.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2045 8.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3265 8.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 8.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7512 11.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5074 10.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4905 8.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8518 8.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6758 6.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8575 9.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7427 10.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6223 9.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6138 8.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7286 8.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7201 7.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7936 12.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5179 14.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 16.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4781 14.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4246 17.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1296 13.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1430 13.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5045 14.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8539 15.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8405 15.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1899 16.3930 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 30 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 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 40 20 1 1 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 18 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 > LMPK12111818 > Kaempferol 3-sophoroside-7-(2''-ferulylglucoside) > > C43H48O24 > 948.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > BERMBHHIFVPPBN-SGBRGZKTSA-N > InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)48)3-9-27(50)65-39-34(56)30(52)25(14-45)63-42(39)60-19-11-21(49)28-23(12-19)61-37(17-4-6-18(47)7-5-17)38(32(28)54)66-43-40(35(57)31(53)26(15-46)64-43)67-41-36(58)33(55)29(51)24(13-44)62-41/h2-12,24-26,29-31,33-36,39-49,51-53,55-58H,13-15H2,1H3/b9-3+/t24-,25-,26-,29-,30-,31-,33+,34+,35+,36-,39-,40-,41+,42-,43+/m1/s1 > C1(O[C@H]2[C@H](OC(/C=C/C3C=C(OC)C(O)=CC=3)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](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 > - > - > - > - > - > - > 21626412 > - > - > - > - > - > 33090 > - $$$$