LMPK12010341 LIPID_MAPS_STRUCTURE_DATABASE 61 66 0 0 0 999 V2000 12.5438 14.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5438 13.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4401 12.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3362 13.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3362 14.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4401 14.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2326 12.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1288 13.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1288 14.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2326 14.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1029 14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9991 14.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8952 14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8952 16.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9991 16.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1029 16.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6984 16.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2057 12.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8162 14.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4401 11.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9991 17.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7294 14.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2594 9.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2488 10.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2163 11.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7157 12.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7263 11.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7586 10.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9434 10.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6220 8.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8260 9.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0383 11.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1439 12.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6616 11.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6631 11.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6585 11.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1409 12.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 11.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9424 12.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5379 11.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 11.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4479 10.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 12.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 13.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 14.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0846 12.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 13.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 14.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8747 12.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3110 10.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0633 9.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0288 9.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5631 8.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0283 7.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9935 7.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4939 8.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 8.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9242 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4238 6.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4586 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8895 7.3074 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 39 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 55 1 0 0 0 0 58 61 1 0 0 0 0 50 29 1 0 0 0 0 36 20 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010341 > Delphinidin 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside) > 3,5,7,3',4',5'-Hexahydroxyflavylium 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside) > C39H39O22 > 859.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > LXITVYYZHYMDFB-UASJYCTDSA-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]3OC(COC(/C=C\C4C=CC(O)=CC=4)=O)[C@@H](O)[C@H](O)C3O)=CC=2C(O[C@@H]2OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C2O)=C1 > - > - > - > - > - > - > 44256946 > - > - > - > - > - > 33090; 82025 > - $$$$