LMPK12010041 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 10.4182 12.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4182 11.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3190 10.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2196 11.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2196 12.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3190 13.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1203 10.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0209 11.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0209 12.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1203 13.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9214 13.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8393 12.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7572 13.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7572 14.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8393 14.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9214 14.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5180 13.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 14.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3190 9.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7483 10.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9157 7.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4472 6.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6130 6.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1365 5.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3442 5.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8761 6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9396 6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4715 5.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9396 4.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8761 4.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5365 5.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9257 5.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3049 7.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5663 6.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8472 7.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5874 9.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 9.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4524 9.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4453 8.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5732 7.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 8.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 9.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 9.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3939 11.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1999 11.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3572 9.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7315 9.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6497 10.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4725 10.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3771 10.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4557 9.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6329 8.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7115 7.9672 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 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 22 32 2 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 19 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 52 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 51 52 1 0 0 0 52 53 1 1 0 0 48 20 1 1 0 0 49 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 53 21 1 0 0 0 M CHG 1 10 1 M END > LMPK12010041 > Bisdemalonylmonardaein > 3,5,7,4'-Tetrahydroxyflavylium 3-(6"-p-coumarylglucoside)-5-glucoside > C36H37O17 > 741.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HFGYRTHYZMEEPZ-AQAMAIGXSA-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]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C4C=CC(O)=CC=4)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 20054973 > - > - > - > - > - > 33090; 39343 > - $$$$