LMPK12010044 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 8.7548 4.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7548 3.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6556 2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5563 3.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5563 4.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6556 4.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4570 2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3576 3.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3576 4.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4570 4.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2581 4.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1761 4.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0940 4.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0940 6.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1761 6.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2581 6.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8545 4.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0117 6.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6556 1.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0850 2.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2525 -0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7839 -1.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9498 -1.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4732 -2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6809 -2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2127 -1.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2763 -1.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8081 -2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2763 -3.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2127 -3.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8731 -2.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2625 -2.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6415 -0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9028 -1.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1837 -0.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 1.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7889 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7819 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9097 -0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0503 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1979 1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7307 3.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5368 3.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6940 1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0682 1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9865 2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8093 2.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7140 2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7926 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9697 0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0483 -0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7767 -4.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7779 -4.1006 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 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 22 32 2 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 38 19 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 52 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 0 0 0 52 53 1 1 0 0 48 20 1 1 0 0 49 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 53 21 1 0 0 0 29 54 1 0 0 0 54 55 1 0 0 0 M CHG 1 10 1 M END > LMPK12010044 > Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside > 3,5,7,4'-Tetrahydroxyflavylium 3-(6"-ferulylglucoside)-5-glucoside > C37H39O18 > 771.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > PXLHGVJUPQEPEJ-OTOOEMNYSA-O > InChI=1S/C37H38O18/c1-49-24-10-16(2-8-21(24)41)3-9-28(42)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-20-22(51-35(25)17-4-6-18(39)7-5-17)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1/t26-,27-,29-,30-,31+,32+,33-,34-,36-,37-/m1/s1 > C1(O)=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)/C=C/C4C=C(OC)C(O)=CC=4)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 44256649 > - > - > - > - > - > 33090; 82025 > - $$$$