LMPK12010071 LIPID_MAPS_STRUCTURE_DATABASE 66 72 0 0 0 999 V2000 9.7080 7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7080 6.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 6.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4441 6.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4441 7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 8.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3119 8.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 8.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9719 7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9719 6.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 6.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0479 8.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0479 9.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 9.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3119 9.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9162 9.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 8.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 5.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3119 6.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9826 1.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2396 2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2078 2.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5309 2.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7903 1.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0816 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1135 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4048 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6641 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6322 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3409 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9553 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8916 -2.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8597 -2.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3073 3.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3666 2.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 3.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1655 5.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 5.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 4.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 3.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6327 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 4.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1978 5.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 5.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3107 6.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4494 4.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5886 2.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4511 4.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8810 5.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8804 5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4501 4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0197 3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0203 3.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5899 2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6105 7.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5830 7.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2517 5.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6334 5.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9542 3.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2950 5.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9448 6.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9333 6.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2674 5.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6177 4.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9519 3.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 2 1 0 0 0 0 7 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 7 1 0 0 0 0 14 17 1 0 0 0 0 11 19 1 0 0 0 0 9 18 1 0 0 0 0 4 20 1 0 0 0 0 22 23 2 0 0 0 0 22 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 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 40 19 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 54 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 20 1 1 0 0 51 46 1 6 0 0 52 47 1 1 0 0 53 48 1 6 0 0 21 55 1 0 0 0 60 66 1 0 0 0 65 59 1 0 0 0 59 61 1 0 0 0 61 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 1 0 0 61 46 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 64 58 1 6 0 0 22 60 1 0 0 0 0 M CHG 1 6 1 M END > LMPK12010071 > Pelargonidin 3-O-[2-O-(6-O-(E)-feruloyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside) > 3,5,7,4'-Tetrahydroxyflavylium 3-(2-(6-ferulylglucosyl) glucoside)-5-glucoside > C43H49O23 > 933.27 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Pelaronidin 3-(2-(6-ferulylglucosyl)glucoside)-5-glucoside > UGTGIJBSJYTLCT-FRWPPZSRSA-O > InChI=1S/C43H48O23/c1-58-25-10-17(2-8-22(25)48)3-9-30(49)59-16-29-33(52)35(54)38(57)42(65-29)66-40-36(55)32(51)28(15-45)64-43(40)62-26-13-21-23(60-39(26)18-4-6-19(46)7-5-18)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1 > C12C=C(O)C=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=1C=C(O[C@H]1[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=C(OC)C(O)=CC=4)=O)O3)[C@@H](O)[C@H](O)[C@@H](CO)O1)C(C1C=CC(O)=CC=1)=[O+]2 > - > - > - > - > - > - > 5320456 > - > - > - > - > - > 33090; 3726 > 11985855 $$$$