LMPK12010077 LIPID_MAPS_STRUCTURE_DATABASE 78 85 0 0 0 999 V2000 6.2761 -1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -3.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0324 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0324 -1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 -3.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7886 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7886 -1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 -1.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6212 -1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4993 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4993 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6212 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2861 0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5633 -1.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -3.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5878 -2.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0876 -8.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6107 -8.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -8.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -8.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5561 -8.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 -8.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -8.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 -8.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -9.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 -9.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 -8.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3245 -7.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4493 -8.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9726 -9.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4367 -8.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9306 -9.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9179 -9.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4109 -8.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 -8.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8901 -9.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 -10.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4109 -10.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8774 -9.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6862 -7.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3790 -3.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5485 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 -6.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9023 -4.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 -6.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7008 -3.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5828 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6665 -5.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8703 -5.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9884 -5.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 -6.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0715 -2.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7506 -3.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7343 -5.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2116 -5.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9555 -7.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2172 -4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 -3.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9043 -4.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8961 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0499 -5.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0419 -6.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8027 -5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 -6.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 -5.2778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -3.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 -3.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2397 -4.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -5.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 -5.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -4.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -3.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 -3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -7.3348 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 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 27 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 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 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 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 45 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 64 58 1 6 0 0 21 49 1 0 0 0 0 60 33 1 0 0 0 0 71 77 1 0 0 0 76 70 1 0 0 0 70 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 1 0 0 72 19 1 1 0 0 73 67 1 6 0 0 74 68 1 1 0 0 75 69 1 6 0 0 50 20 1 1 0 0 32 78 1 0 0 0 M CHG 1 10 1 M END > LMPK12010077 > Pelargonidin 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside > Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside) > C52H55O26 > 1095.30 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > 3,5,7,4'-Tetrahydroxyflavylium 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside > GLVCXPXHQUEMAZ-NELIWPSSSA-O > InChI=1S/C52H54O26/c1-69-33-15-23(3-11-29(33)57)5-13-39(60)71-21-37-42(63)45(66)49(78-51-47(68)44(65)41(62)36(76-51)20-70-38(59)12-4-22-2-10-28(56)30(58)14-22)52(77-37)74-34-18-27-31(72-48(34)24-6-8-25(54)9-7-24)16-26(55)17-32(27)73-50-46(67)43(64)40(61)35(19-53)75-50/h2-18,35-37,40-47,49-53,61-68H,19-21H2,1H3,(H4-,54,55,56,57,58,59,60)/p+1/t35-,36-,37-,40-,41-,42-,43+,44+,45+,46-,47-,49-,50-,51+,52-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=C(O)C=5)=O)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=C(OC)C=4)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 11968833 > - > - > - > - > - > 33090; 3726 > - $$$$