LMPK12010389 LIPID_MAPS_STRUCTURE_DATABASE 52 56 0 0 0 999 V2000 11.2567 10.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2567 9.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1509 8.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0453 9.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0453 10.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1509 10.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9396 8.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8339 9.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8339 10.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9396 10.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7278 10.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6395 10.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5508 10.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5508 11.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6393 12.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7278 11.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3627 10.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4450 12.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1509 7.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6195 8.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 8.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0518 7.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 9.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1406 8.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6393 13.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4450 10.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 7.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1406 9.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3559 13.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2938 10.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5255 9.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7574 7.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0828 5.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8986 7.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9160 4.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2351 7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1881 8.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8047 7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 6.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5144 6.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1769 5.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9689 5.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2110 5.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6403 6.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 7.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2746 7.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1836 6.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 6.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6078 7.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8225 8.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 7.5348 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 24 1 0 0 0 0 21 23 2 0 0 0 0 15 25 1 0 0 0 0 13 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 36 1 0 0 0 36 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 1 0 0 36 20 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 50 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 0 0 0 49 50 1 0 0 0 50 51 1 1 0 0 46 19 1 1 0 0 47 42 1 6 0 0 48 43 1 1 0 0 49 44 1 6 0 0 52 51 1 0 0 0 52 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010389 > Malvidin 3-glucoside-5-(6''-malonylglucoside) > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-glucoside-5-(6"-malonylglucoside) > C33H39O19 > 739.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HZAKNKYJKHNQEI-DLZQJLDISA-O > InChI=1S/C33H38O19/c1-12(35)4-23(37)47-11-22-26(40)28(42)30(44)32(52-22)49-17-8-14(36)7-16-15(17)9-20(50-33-29(43)27(41)25(39)21(10-34)51-33)31(48-16)13-5-18(45-2)24(38)19(6-13)46-3/h5-9,21-22,25-30,32-34,39-44H,4,10-11H2,1-3H3,(H-,36,38)/p+1/t21-,22-,25-,26-,27+,28+,29-,30-,32-,33-/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](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)C)O2)=C1 > - > - > - > - > - > - > 178335896 > - > - > - > - > - > 33090; 58942 > - $$$$