LMPK12010142 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 5.9954 -4.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 -5.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -5.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7669 -5.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7669 -4.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -3.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6526 -5.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5386 -5.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5386 -4.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6526 -3.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4241 -3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3268 -4.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2296 -3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2296 -2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3268 -2.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4241 -2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 -3.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1322 -2.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 -6.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4906 -5.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3122 -7.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8702 -8.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5886 -7.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1189 -5.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4230 -6.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2544 -6.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1715 -7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -7.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8123 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8951 -6.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7546 -6.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5656 -6.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6728 -7.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3949 -6.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3615 -6.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4022 -5.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3835 -5.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1837 -5.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0023 -4.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0211 -3.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2209 -4.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8008 -3.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6113 -9.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1545 -10.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3723 -10.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 -7.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5551 -8.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7203 -9.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 -9.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 -9.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9332 -8.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3267 -1.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8475 -2.9253 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 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 6 0 0 27 21 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 32 33 2 0 0 0 0 32 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 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 25 32 1 0 0 0 0 51 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 0 0 0 48 43 1 6 0 0 49 44 1 1 0 0 50 45 1 6 0 0 47 21 1 1 0 0 26 20 1 6 0 0 15 52 1 0 0 0 40 53 1 0 0 0 M CHG 1 10 1 M END > LMPK12010142 > > Cyanidin 3-(6''-(E)-caffeylsambubioside) > C35H35O18 > 743.18 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > - > - > - > - > - > - > - > - > FL7AACGL0033 > 44256747 > - > - > Active > - > https://dev.lipidmaps.org/databases/lmsd/LMPK12010142 $$$$