LMPK12010048 LIPID_MAPS_STRUCTURE_DATABASE 59 64 0 0 0 999 V2000 10.1230 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1230 -7.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0235 -7.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9237 -7.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9237 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0235 -5.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 -7.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7244 -7.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7244 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 -5.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6244 -5.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5420 -6.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4597 -5.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4597 -4.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5420 -4.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6244 -4.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2230 -5.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3770 -4.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0235 -8.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 -7.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3489 -12.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5151 -12.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0388 -13.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2469 -13.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7788 -12.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 -12.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3746 -13.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 -14.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7788 -14.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 -13.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8274 -13.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6622 -10.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7775 -11.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2595 -10.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3193 -8.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7541 -8.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0838 -9.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9031 -10.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9581 -10.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 -8.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6207 -8.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1658 -8.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1515 -10.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4149 -11.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5639 -9.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8619 -11.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4350 -8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2975 -9.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2891 -10.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4207 -10.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5583 -10.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6899 -10.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -10.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5256 -10.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3935 -11.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 -10.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -10.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 -11.6271 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 21 31 2 0 0 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 1 0 0 37 19 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 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 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 47 21 1 0 0 0 0 54 55 1 0 0 0 54 56 2 0 0 0 55 57 1 0 0 0 57 58 1 0 0 0 57 59 2 0 0 0 34 54 1 0 0 0 M CHG 1 10 1 M END > LMPK12010048 > > Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside) > C39H39O20 > 827.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > MDEOANVPTRUJEP-QUYWJHRBSA-O > InChI=1S/C39H38O20/c40-15-26-37(59-30(47)14-28(44)45)33(50)35(52)39(57-26)55-24-12-21(43)11-23-22(24)13-25(36(54-23)18-4-8-20(42)9-5-18)56-38-34(51)32(49)31(48)27(58-38)16-53-29(46)10-3-17-1-6-19(41)7-2-17/h1-13,26-27,31-35,37-40,48-52H,14-16H2,(H3-,41,42,43,44,45,46)/p+1/t26-,27-,31-,32+,33-,34-,35-,37-,38-,39-/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](OC(=O)CC(=O)O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 178335780 > - > - > - > - > - > 33090 > - $$$$