LMPK12010172 LIPID_MAPS_STRUCTURE_DATABASE 85 92 0 0 0 999 V2000 7.8016 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 -3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6768 -4.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6768 -1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4272 -4.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3025 -3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3025 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4272 -1.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1774 -1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0693 -2.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9613 -1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9613 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0693 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1774 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 -1.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8531 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 -4.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2431 -4.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5015 -6.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7929 -7.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2662 -6.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0582 -4.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -5.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 -5.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7382 -6.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -6.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -6.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 -5.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -4.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0668 -5.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6062 -7.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3040 -6.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8519 -4.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1284 -5.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9977 -4.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9159 -5.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6880 -6.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5370 -5.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6188 -4.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4680 -4.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2574 -5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3633 -6.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0768 -4.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0318 -4.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0600 -3.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0297 -4.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8203 -3.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6411 -2.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6715 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8809 -2.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4299 -1.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3623 -7.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9230 -9.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1621 -8.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4334 -6.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3188 -6.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4820 -7.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7596 -8.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8794 -7.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7163 -6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7835 -4.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -5.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0886 -4.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 -3.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2831 -5.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 -3.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5000 -1.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1877 -8.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5553 -9.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2573 -8.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7653 -9.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1078 -9.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6237 -10.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6557 -10.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1715 -9.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6558 -8.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6237 -8.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2012 -9.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 -7.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1380 -7.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0692 0.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1558 -11.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1558 -11.2872 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 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 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 1 0 0 26 19 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 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 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 36 43 1 0 0 0 0 62 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 0 0 0 59 54 1 6 0 0 60 55 1 1 0 0 61 56 1 6 0 0 58 32 1 1 0 0 37 20 1 6 0 0 25 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 63 66 2 0 0 0 65 67 2 0 0 0 65 68 1 0 0 0 51 69 1 0 0 0 70 71 2 0 0 0 70 72 1 0 0 0 72 73 2 0 0 0 73 74 1 0 0 0 74 75 2 0 0 0 75 76 1 0 0 0 76 77 2 0 0 0 77 78 1 0 0 0 78 79 2 0 0 0 79 74 1 0 0 0 77 80 1 0 0 0 78 81 1 0 0 0 81 82 1 0 0 0 54 70 1 0 0 0 15 83 1 0 0 0 76 84 1 0 0 0 84 85 1 0 0 0 M CHG 1 10 1 M END > LMPK12010172 > > Cyanidin 3-(6''-caffeyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) > C55H57O30 > 1197.29 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > - > - > - > - > - > - > - > - > FL7AACGL0063 > 44256777 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMPK12010172 $$$$