LMPK12010299 LIPID_MAPS_STRUCTURE_DATABASE 61 66 0 0 0 999 V2000 12.4820 12.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4820 11.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3639 10.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2456 11.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2456 12.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3639 12.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1275 10.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0091 11.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0091 12.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1275 12.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8906 12.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7895 12.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6882 12.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6882 14.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7895 14.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8906 14.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6005 12.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5866 14.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3639 9.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6687 10.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0307 5.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2144 5.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7476 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9722 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 5.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5969 5.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5969 3.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 3.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2231 4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4995 4.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7895 15.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3326 11.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5404 12.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5839 11.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7172 13.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5866 12.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 12.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8477 12.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9811 13.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 7.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0950 7.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5613 8.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6423 10.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4146 9.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2321 8.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2773 8.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5107 8.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6931 9.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9263 10.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4940 9.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6557 7.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9946 6.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9178 8.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4292 6.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7508 9.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6634 8.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7431 7.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 7.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0001 7.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1695 7.1387 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 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 15 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 38 1 0 0 0 0 34 36 2 0 0 0 0 13 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 49 44 1 0 0 0 44 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 1 0 0 45 19 1 1 0 0 46 41 1 6 0 0 47 42 1 1 0 0 48 43 1 6 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 56 20 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 6 0 0 50 33 1 0 0 0 55 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010299 > Malonylawobanin > 5-[[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-3-[[6-O-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-7-hydroxy-1-benzopyrylium > C39H39O22 > 859.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Delphinidin 3-(6''-(E)-p-coumaroylglucoside)-5-(6''-malonylglucoside) > LXITVYYZHYMDFB-AWJFVBHYSA-O > InChI=1S/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/t25-,26-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=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](COC(=O)CC(=O)O)O2)=C1 > C08653 > - > 6665 > - > - > - > 5281258 > - > - > - > - > - > 33090; 81762 > - $$$$