LMPK12010253 LIPID_MAPS_STRUCTURE_DATABASE 67 73 0 0 0 999 V2000 7.1295 7.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1295 6.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 5.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 6.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 7.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 5.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 6.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 7.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 7.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6452 7.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5658 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4863 7.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4863 8.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5658 9.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6452 8.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 7.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3893 9.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4366 5.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9352 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4674 -0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0150 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4711 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9639 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9491 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9491 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9639 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5658 10.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3375 10.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3316 2.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3483 2.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 4.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 5.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 5.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0437 4.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 3.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 3.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 4.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4110 5.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7725 5.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 1.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3079 4.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4725 3.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9263 1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9028 4.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6782 4.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5347 4.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6161 3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8428 2.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9864 3.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2133 2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5331 6.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3924 5.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0227 4.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5546 3.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7424 2.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2357 4.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8482 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7799 5.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0949 4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4824 3.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7975 2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4491 -1.9819 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 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 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 25 1 0 0 0 0 28 31 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 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 1 0 0 39 19 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 54 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 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 51 46 1 6 0 0 52 47 1 1 0 0 53 48 1 6 0 0 60 66 1 0 0 0 65 59 1 0 0 0 59 61 1 0 0 0 61 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 1 0 0 61 46 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 64 58 1 6 0 0 45 55 1 0 0 0 50 20 1 1 0 0 45 21 1 0 0 0 0 29 67 1 0 0 0 M CHG 1 10 1 M END > LMPK12010253 > > Peonidin 3-(6''-caffeylsophoroside)-5-glucoside > C43H49O24 > 949.26 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > - > - > - > - > - > - > - > - > FL7AADGL0022 > 131753190 > - > - > Active > - > https://dev.lipidmaps.org/databases/lmsd/LMPK12010253 $$$$