LMPK12010086 LIPID_MAPS_STRUCTURE_DATABASE 68 74 0 0 0 999 V2000 18.8801 12.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8801 11.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7632 10.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6462 11.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6462 12.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7632 12.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5293 10.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4124 11.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4124 12.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5293 12.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3721 12.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2552 12.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1383 12.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1383 13.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2552 14.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3721 13.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9295 14.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1633 12.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7632 9.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2160 10.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9762 13.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4670 14.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9762 15.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4100 14.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9001 15.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8805 15.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3706 14.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8805 13.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9001 13.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3523 14.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3112 8.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2008 7.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2164 6.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0747 8.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9644 7.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9798 6.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8384 8.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3534 12.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3795 12.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 14.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8777 15.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4361 16.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3677 14.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 13.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 13.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3937 14.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8932 15.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 16.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1493 10.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 9.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7355 10.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4536 12.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3077 12.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3007 11.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 10.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5911 11.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 12.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7495 12.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9988 10.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1568 8.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5343 6.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4825 9.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2961 9.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1875 9.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2654 8.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4541 7.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5628 8.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7514 7.8366 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 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 24 22 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 42 48 1 0 0 0 47 41 1 0 0 0 41 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 0 0 0 47 48 1 1 0 0 43 30 1 1 0 0 44 38 1 6 0 0 45 39 1 1 0 0 46 40 1 6 0 0 57 52 1 0 0 0 52 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 18 1 1 0 0 54 49 1 6 0 0 55 50 1 1 0 0 56 51 1 6 0 0 21 58 1 0 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 67 68 1 1 0 0 63 20 1 1 0 0 64 59 1 6 0 0 65 60 1 1 0 0 66 61 1 6 0 0 37 68 1 0 0 0 M CHG 1 10 1 M END > LMPK12010086 > Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) > 3,5,7,4'-Tetrahydroxyflavylium 3- (6- (malonyl) glucoside) -7- (6- (4- (glucosyl) -p-hydroxybenzoyl) glucoside) > C43H47O25 > 963.24 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > BVWDUTYWOIINQI-FULPIZPKSA-O > InChI=1S/C43H46O25/c44-13-25-30(50)33(53)36(56)41(66-25)62-19-7-3-17(4-8-19)40(59)61-15-27-32(52)34(54)37(57)42(67-27)63-20-9-22(46)21-11-24(39(64-23(21)10-20)16-1-5-18(45)6-2-16)65-43-38(58)35(55)31(51)26(68-43)14-60-29(49)12-28(47)48/h1-11,25-27,30-38,41-44,50-58H,12-15H2,(H2-,45,46,47,48)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,41-,42-,43-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=O)O2)=CC2[O+]=C(C3C=CC(O)=CC=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 > - > - > - > - > - > - > 100914223 > - > - > - > - > - > 33090; 46246 > - $$$$