LMPK12010224 LIPID_MAPS_STRUCTURE_DATABASE 72 78 0 0 0 999 V2000 10.0706 -0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 -1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8701 -1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8701 -0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6699 -1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6699 -0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 -0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6479 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5478 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4475 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4475 0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5478 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6479 0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2538 1.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7510 -2.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3401 -0.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -3.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2598 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2189 0.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6064 -8.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0737 -7.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0361 -7.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5783 -6.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0457 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0081 -6.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5504 -5.1055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 2.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0805 0.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 0.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5235 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 0.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5235 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 0.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 1.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3259 -2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5853 -3.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 -2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6064 -0.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4724 -0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4654 -1.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -2.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7318 -1.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8021 0.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6780 -0.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0084 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3648 -1.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4512 -3.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1960 -0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9671 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9071 -0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0722 -1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3010 -2.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4662 -3.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6269 -3.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9604 -5.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4199 -6.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1466 -4.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9187 -3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8565 -3.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0224 -4.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2522 -5.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3144 -5.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5442 -5.6409 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 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 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 22 30 1 0 0 0 0 50 45 1 0 0 0 45 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 1 0 0 46 19 1 1 0 0 47 42 1 6 0 0 48 43 1 1 0 0 49 44 1 6 0 0 51 22 1 0 0 0 56 62 1 0 0 0 61 55 1 0 0 0 55 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 1 0 0 57 21 1 1 0 0 58 52 1 6 0 0 59 53 1 1 0 0 60 54 1 6 0 0 71 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 1 0 0 67 18 1 1 0 0 68 63 1 6 0 0 69 64 1 1 0 0 70 65 1 6 0 0 72 29 1 0 0 0 M CHG 1 10 1 M END > LMPK12010224 > > Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside > C45H49O27 > 1021.25 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > - > - > - > - > - > - > - > - > FL7AACGL0115 > 44256829 > - > - > Active > - > https://dev.lipidmaps.org/databases/lmsd/LMPK12010224 $$$$