LMPK12010394 LIPID_MAPS_STRUCTURE_DATABASE 68 74 0 0 0 999 V2000 10.0731 13.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0732 12.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0115 11.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9499 12.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9499 13.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0115 13.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8885 11.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8268 12.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8268 13.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8885 13.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7650 13.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7215 13.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6778 13.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6780 15.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7215 15.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7651 15.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1349 13.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5540 15.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0116 10.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9579 11.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 5.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9798 4.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4034 5.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8867 4.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 4.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3663 5.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2827 5.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7406 4.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 3.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3663 3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6578 4.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7459 2.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6344 13.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7215 16.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5206 17.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4118 13.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7143 9.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 9.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0782 11.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6915 11.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3751 12.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0293 10.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3807 10.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3941 10.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 11.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7092 12.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3755 12.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9776 11.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9784 10.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9778 8.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9762 10.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0304 7.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4766 10.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4773 10.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9778 10.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4774 9.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4768 9.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8514 8.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4988 5.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5616 4.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1613 6.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3591 7.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0645 7.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7987 6.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8273 5.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1274 6.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3931 7.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6930 8.2252 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 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 29 32 1 0 0 0 0 15 34 1 0 0 0 0 13 33 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 42 19 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 52 58 1 0 0 0 57 51 1 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 67 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 0 0 0 67 68 1 6 0 0 63 52 1 1 0 0 64 59 1 6 0 0 65 60 1 6 0 0 66 61 1 1 0 0 53 20 1 1 0 0 21 61 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010394 > > Malvidin 3-caffeylrutinoside-5-glucoside > C44H51O24 > 963.28 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > - > - > - > - > - > - > - > - > FL7AAIGL0023 > 100935271 > - > - > Active > - > https://dev.lipidmaps.org/databases/lmsd/LMPK12010394 $$$$