LMPK12010087 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 0 0 0 0 0999 V2000 7.9223 11.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9223 11.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6535 10.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3847 11.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3847 11.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6535 12.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1159 10.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8471 11.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8471 11.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1159 12.3356 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.6418 12.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 11.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 12.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 13.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 13.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6418 13.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7594 13.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3288 12.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6535 9.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5125 10.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 9.9164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4713 9.1850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2882 9.3990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1003 9.1669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6780 9.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 9.6843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7004 10.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 9.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1127 8.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 8.8279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1098 8.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7367 8.9386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5646 9.1059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8532 9.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2262 8.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2057 8.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1598 8.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6679 8.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7385 9.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 10.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0909 9.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 8.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5926 7.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8484 9.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1230 8.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1333 7.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4073 7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1538 6.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 6.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 7.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1642 5.2037 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 33 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 36 40 1 0 0 0 0 34 20 1 0 0 0 0 41 27 1 0 0 0 0 42 40 1 0 0 0 0 24 19 1 0 0 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 42 43 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010087 > > Pelargonidin 3-[6-((Z)-p-coumaroyl)glucoside]-5-glucoside > C36H37O17 > 741.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HFGYRTHYZMEEPZ-KHAXSZHRSA-O > InChI=1S/C36H36O17/c37-14-25-28(42)30(44)32(46)35(52-25)50-23-12-20(40)11-22-21(23)13-24(34(49-22)17-4-8-19(39)9-5-17)51-36-33(47)31(45)29(43)26(53-36)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/p+1/t25?,26?,28-,29-,30+,31+,32?,33?,35-,36-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@@H]3OC(COC(/C=C\C4C=CC(O)=CC=4)=O)[C@@H](O)[C@H](O)C3O)=CC=2C(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=C1 > - > - > - > - > - > - > 44256692 > - > - > - > - > - > 33090 > - $$$$