LMPK12010049 LIPID_MAPS_STRUCTURE_DATABASE 59 64 0 0 0 999 V2000 10.7150 1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7150 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6156 0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5161 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5161 1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6156 2.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4168 0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3174 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3174 1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4168 2.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2177 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1356 1.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0535 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0535 3.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1356 4.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2177 3.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9709 4.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6156 -0.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0340 0.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9415 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1074 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -5.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8389 -5.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3706 -4.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4342 -4.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 -5.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4342 -6.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3706 -6.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 -5.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4201 -5.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2543 -2.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3690 -3.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8506 -1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9110 -0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 -0.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6758 -0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4949 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5496 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9711 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7595 -0.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7451 -2.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0081 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1569 -1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4545 -3.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0282 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8910 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8826 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0139 -2.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1513 -2.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2826 -2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6251 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 -1.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -0.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 -1.9761 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 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 24 1 0 0 0 0 27 30 1 0 0 0 0 21 31 2 0 0 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 37 19 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 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 0 0 0 52 53 1 1 0 0 48 20 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 47 21 1 0 0 0 0 54 55 1 0 0 0 54 56 2 0 0 0 55 57 1 0 0 0 57 58 1 0 0 0 57 59 2 0 0 0 36 54 1 0 0 0 M CHG 1 10 1 M END > LMPK12010049 > Monodemalonylmonardaein > 3,5,7,4'-Tetrahydroxyflavylium 3-(6"-p-coumarylglucoside)-5-(6'''-malonylglucoside) > C39H39O20 > 827.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > SVWGZAOFZPHNJL-KMKFZPLVSA-O > InChI=1S/C39H38O20/c40-19-6-1-17(2-7-19)3-10-29(45)53-15-26-31(47)34(50)36(52)39(59-26)57-25-13-22-23(55-37(25)18-4-8-20(41)9-5-18)11-21(42)12-24(22)56-38-35(51)33(49)32(48)27(58-38)16-54-30(46)14-28(43)44/h1-13,26-27,31-36,38-39,47-52H,14-16H2,(H3-,40,41,42,43,44,45)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C4C=CC(O)=CC=4)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O2)=C1 > - > - > - > - > - > - > 178335781 > - > - > - > - > - > 33090; 39343 > - $$$$