LMPK12010227 LIPID_MAPS_STRUCTURE_DATABASE 73 79 0 0 0 999 V2000 16.4438 12.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4438 11.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3298 11.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2157 11.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2157 12.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3298 13.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1018 11.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9878 11.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9878 12.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1018 13.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9506 13.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8367 12.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7226 13.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7226 14.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8367 14.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9506 14.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5165 14.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0523 11.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7247 13.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3298 10.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5223 12.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6515 13.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5792 7.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2236 8.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8593 8.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2323 7.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8768 8.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5125 9.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8854 8.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0785 14.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5894 15.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 14.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5460 13.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5244 13.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0129 14.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 14.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4783 13.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 12.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0129 12.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 13.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 15.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3723 15.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7107 11.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9969 10.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3023 11.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0177 13.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8703 12.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8634 11.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0037 11.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 11.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1635 12.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3163 13.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0409 14.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8880 13.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2133 11.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6103 11.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6646 10.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4442 12.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2034 13.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1289 12.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2914 11.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5322 11.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6948 10.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8992 10.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2275 8.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7109 7.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4571 9.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2174 10.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1407 9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3041 8.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5457 8.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6224 8.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8639 7.9448 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 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 13 21 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 22 30 1 0 0 0 0 51 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 0 0 0 51 52 1 1 0 0 47 19 1 1 0 0 48 43 1 6 0 0 49 44 1 1 0 0 50 45 1 6 0 0 52 22 1 0 0 0 57 63 1 0 0 0 62 56 1 0 0 0 56 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 1 0 0 58 21 1 1 0 0 59 53 1 6 0 0 60 54 1 1 0 0 61 55 1 6 0 0 72 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 1 0 0 68 18 1 1 0 0 69 64 1 6 0 0 70 65 1 1 0 0 71 66 1 6 0 0 73 29 1 0 0 0 M CHG 1 10 1 M END > LMPK12010227 > Cyanidin 3-(6-malonylglucoside)-7-(6-feruloylglucoside)-3'-glucoside > 3-[[6-O-(3-Hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]-7-[[6-O-(3-methoxy-4-hydroxycinnamoyl)-beta-D-glucopyranosyl]oxy]-3'- (beta-D-glucopyranosyloxy)-4',5-dihydroxyanthocyanidin > C46H51O27 > 1035.26 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > PNXAVCXVCDUMFM-CICRUTECSA-O > InChI=1S/C46H50O27/c1-64-25-8-17(2-5-21(25)48)3-7-32(53)65-15-29-35(56)38(59)40(61)44(72-29)67-19-10-23(50)20-12-27(70-46-42(63)39(60)36(57)30(73-46)16-66-33(54)13-31(51)52)43(68-24(20)11-19)18-4-6-22(49)26(9-18)69-45-41(62)37(58)34(55)28(14-47)71-45/h2-12,28-30,34-42,44-47,55-63H,13-16H2,1H3,(H3-,48,49,50,51,52,53)/p+1/t28-,29-,30-,34-,35-,36-,37+,38+,39+,40-,41-,42-,44-,45-,46-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(OC)C=3)=O)O2)=CC2[O+]=C(C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256832 > - > - > - > - > - > 33090; 123205 > - $$$$