LMPK12010222 LIPID_MAPS_STRUCTURE_DATABASE 60 65 0 0 0 999 V2000 7.4023 14.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4023 13.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2926 12.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1831 13.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1831 14.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2926 14.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0733 12.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 13.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 14.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0733 14.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 14.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8216 14.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 14.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 15.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8216 16.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 15.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5097 16.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7663 12.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 14.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2926 11.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5157 14.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6602 18.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6373 17.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4597 16.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9117 15.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2982 14.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4962 16.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0714 17.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0623 17.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4732 16.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8981 15.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3092 14.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7585 12.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1033 10.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5839 9.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3043 11.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0659 12.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9988 11.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1704 10.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4107 10.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4778 10.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 9.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0826 10.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2100 8.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3578 7.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2411 8.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6668 9.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6564 9.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2205 8.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7943 7.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8047 7.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3785 6.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4006 6.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2053 9.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 10.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 11.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9835 9.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8727 10.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8727 11.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7592 10.0034 0.0000 O 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 13 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 27 17 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 51 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 1 0 0 47 34 1 1 0 0 48 43 1 6 0 0 49 44 1 1 0 0 50 45 1 6 0 0 52 53 1 0 0 0 37 18 1 1 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 42 60 1 0 0 0 58 60 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010222 > Cyanidin 3-(3-glucosyl-6-malonylglucoside)-4'-glucoside > 2-[3-Hydroxy-4-(beta-D-glucopyranosyloxy)phenyl]-3-[3-O-beta-D-glucopyranosyl-6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-1-benzopyrylium > C36H43O24 > 859.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > XXFRPBJBDCHDPB-JALHFSQLSA-O > InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)55-16-2-1-11(3-15(16)41)32-18(6-13-14(40)4-12(39)5-17(13)54-32)56-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20-,21-,24-,25-,26-,27+,28+,29-,30-,31-,33+,34-,35+,36-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 101268576 > - > - > - > - > - > 33090; 4679 > - $$$$