LMPK12010040 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 999 V2000 10.2263 10.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2263 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 9.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9782 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9782 10.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 11.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8543 9.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7303 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7303 10.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8543 11.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6059 11.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4987 10.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3915 11.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3915 12.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4987 12.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6059 12.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3506 11.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2842 12.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 8.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5145 8.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4815 5.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3819 6.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3528 5.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2236 6.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0937 5.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2236 7.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4815 4.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8031 7.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7890 5.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0767 4.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2376 6.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5454 4.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0965 7.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9469 6.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9385 5.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0824 5.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2320 5.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3759 5.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9753 10.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8288 9.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1681 7.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5628 7.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6291 6.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3896 8.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1450 9.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0735 8.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2431 7.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4878 7.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6574 6.3953 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 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 21 27 2 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 1 0 0 33 19 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 44 1 0 0 0 44 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 1 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 44 20 1 1 0 0 43 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010040 > Pelargonidin 3-(6''-succinylglucoside)-5-glucoside > 3,5,7,4'-Tetrahydroxyflavylium 3-(6"-succinylglucoside)-5-glucoside > C31H35O18 > 695.18 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > WEDQIJAUFIWMNC-UPJXQTEWSA-O > InChI=1S/C31H34O18/c32-10-19-23(38)25(40)27(42)30(48-19)46-17-8-14(34)7-16-15(17)9-18(29(45-16)12-1-3-13(33)4-2-12)47-31-28(43)26(41)24(39)20(49-31)11-44-22(37)6-5-21(35)36/h1-4,7-9,19-20,23-28,30-32,38-43H,5-6,10-11H2,(H2-,33,34,35,36)/p+1/t19-,20-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCC(O)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 14034024 > - > - > - > - > - > 33090; 41522 > - $$$$