LMPK12010386 LIPID_MAPS_STRUCTURE_DATABASE 58 63 0 0 0 999 V2000 9.6135 11.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6135 9.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5197 9.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4256 9.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4256 11.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5197 11.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3316 9.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2378 9.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2378 11.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3316 11.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1435 11.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0670 11.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9906 11.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9906 12.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0670 13.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1435 12.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7077 11.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9061 13.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5215 8.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2555 9.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7495 6.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6625 5.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7347 5.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5333 5.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5775 4.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8170 5.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8841 4.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7115 3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4723 3.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4052 3.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7792 3.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0859 14.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7582 11.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8990 14.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5078 11.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7840 5.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 6.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7838 8.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 8.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 7.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7838 6.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 7.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 8.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4799 6.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4786 5.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3252 5.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6308 5.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 10.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4515 10.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1174 8.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5637 8.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8375 7.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2266 9.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8559 9.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8223 9.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1552 8.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5259 8.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8588 7.1785 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 2 0 0 0 0 21 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 13 33 1 0 0 0 0 15 32 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 43 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 0 0 0 41 36 1 1 0 0 42 37 1 6 0 0 40 44 1 6 0 0 44 45 1 0 0 0 45 46 1 0 0 0 45 47 2 0 0 0 39 19 1 1 0 0 52 58 1 0 0 0 57 51 1 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 53 20 1 1 0 0 52 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010386 > Malvidin 3- (6''-p-coumarylglucoside) -5- (2'''-acetylxyloside) > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-(6''-p-coumarylglucoside)-5-(2'''-acetylxyloside) > C39H41O19 > 813.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > KVEPXARQPYSKAI-JIELMUMSSA-O > InChI=1S/C39H40O19/c1-17(40)54-37-31(45)23(43)15-53-39(37)56-25-13-21(42)12-24-22(25)14-28(36(55-24)19-10-26(50-2)32(46)27(11-19)51-3)57-38-35(49)34(48)33(47)29(58-38)16-52-30(44)9-6-18-4-7-20(41)8-5-18/h4-14,23,29,31,33-35,37-39,43,45,47-49H,15-16H2,1-3H3,(H2-,41,42,44,46)/p+1/t23-,29-,31+,33-,34+,35-,37-,38-,39+/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)=CC=2C(O[C@H]2[C@H](OC(=O)C)[C@@H](O)[C@H](O)CO2)=C1 > - > - > - > - > - > - > 44256991 > - > - > - > - > - > 33090; 40009 > - $$$$