LMPK12010149 LIPID_MAPS_STRUCTURE_DATABASE 50 54 0 0 0 999 V2000 7.4678 13.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4678 12.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3452 12.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 12.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 13.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3452 14.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 12.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9774 12.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9774 13.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 14.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8546 14.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7487 13.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6430 14.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6430 15.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7487 15.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8546 15.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5907 14.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5369 15.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3452 11.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0529 11.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7487 16.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8868 10.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7628 8.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8155 8.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 11.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5784 9.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4991 11.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9131 10.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3487 9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3751 9.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9612 10.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 10.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8185 10.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0674 9.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3835 7.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1697 8.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2009 6.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5107 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4766 9.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1016 8.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7595 7.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7937 7.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4517 6.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5049 6.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2304 7.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6699 7.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2057 7.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6946 7.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 8.0344 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 15 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 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 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 43 44 2 0 0 0 24 45 1 0 0 0 45 46 1 0 0 0 45 47 2 0 0 0 46 48 1 0 0 0 48 49 1 0 0 0 48 50 2 0 0 0 27 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010149 > Cyanidin 3-(4''-malonyl-2''-glucuronosylglucoside) > 3,5,7,3',4'-Pentahydroxyflavylium 3-(4''-malonyl-2''-glucuronosylglucoside) > C30H31O20 > 711.14 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HGNJMFMOAOMZKL-XVBFHDPJSA-O > InChI=1S/C30H30O20/c31-8-17-25(48-19(38)7-18(36)37)23(42)27(50-29-22(41)20(39)21(40)26(49-29)28(43)44)30(47-17)46-16-6-11-13(34)4-10(32)5-15(11)45-24(16)9-1-2-12(33)14(35)3-9/h1-6,17,20-23,25-27,29-31,39-42H,7-8H2,(H5-,32,33,34,35,36,37,43,44)/p+1/t17-,20+,21+,22-,23+,25-,26+,27-,29+,30-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)[C@@H](O)[C@H](OC(=O)CC(=O)O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 101617546 > - > - > - > - > - > 33090; 41492 > - $$$$