LMPK12010195 LIPID_MAPS_STRUCTURE_DATABASE 67 73 0 0 0 999 V2000 17.1311 16.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0824 17.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1373 15.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9655 16.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8960 16.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0676 15.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9993 14.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7593 15.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5856 16.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6538 16.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6896 15.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3456 17.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1725 13.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1740 18.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4140 13.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9804 17.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9804 16.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8322 16.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 16.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 17.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8322 18.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5338 16.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3841 16.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3841 17.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5338 18.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2371 18.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0904 17.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9422 18.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9422 19.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0904 19.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2371 19.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1274 18.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2371 16.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0904 20.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7953 19.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8322 15.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1248 13.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1243 13.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 14.5662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1851 15.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5898 16.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8344 15.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4807 14.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4777 13.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 14.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1874 15.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5433 16.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 14.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1223 12.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1627 12.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9856 14.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6483 12.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9694 15.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6815 14.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4102 13.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4304 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7183 14.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7385 13.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3313 15.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1641 15.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3237 13.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6590 13.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5762 14.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4111 14.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3292 14.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4089 13.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5739 12.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 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 5 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 7 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 19 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 20 25 1 0 0 0 0 24 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 30 1 0 0 0 0 30 31 2 0 0 0 0 26 31 1 0 0 0 0 16 32 1 0 0 0 0 23 33 1 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 18 36 1 0 0 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 42 36 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 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 53 33 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 67 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 63 48 1 1 0 0 64 59 1 6 0 0 65 60 1 1 0 0 66 61 1 6 0 0 59 1 1 0 0 0 0 M CHG 1 25 1 M END > LMPK12010195 > Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) glucoside] 5-O-glucoside > 3,5,7,3',4'-Pentahydroxyflavylium 3-O-[2"-O-(2"'-O-(sinapoyl)xylosyl)glucoside] 5-O-glucoside > C43H49O24 > 949.26 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HKRACDHMWOGFKJ-SPTMARHOSA-O > InChI=1S/C43H48O24/c1-58-25-7-16(8-26(59-2)32(25)52)3-6-30(50)66-39-31(51)22(49)15-60-42(39)67-40-36(56)34(54)29(14-45)65-43(40)63-27-12-19-23(61-38(27)17-4-5-20(47)21(48)9-17)10-18(46)11-24(19)62-41-37(57)35(55)33(53)28(13-44)64-41/h3-12,22,28-29,31,33-37,39-45,49,51,53-57H,13-15H2,1-2H3,(H3-,46,47,48,50,52)/p+1/t22-,28-,29-,31+,33-,34-,35+,36+,37-,39-,40-,41-,42+,43-/m1/s1 > C(O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC1C(C2C=C(O)C(O)=CC=2)=[O+]C2=CC(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C2C=1)(/C=C/C1C=C(OC)C(O)=C(OC)C=1)=O > - > - > - > - > - > - > 44256800 > - > - > - > - > - > 33090; 3702 > - $$$$