LMPK12010309 LIPID_MAPS_STRUCTURE_DATABASE 99108 0 0 0 999 V2000 18.5415 9.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4262 9.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4262 10.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5415 11.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6566 10.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6566 9.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3111 9.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1959 9.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1959 10.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3111 11.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1321 11.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9688 10.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8059 11.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8059 12.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9688 12.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1321 12.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5627 12.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8308 11.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5415 8.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6762 8.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9688 13.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5688 11.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0428 12.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4795 13.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4151 13.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4151 14.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3142 13.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2724 13.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1856 13.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1856 12.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0345 11.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8833 12.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8833 13.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0345 13.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4885 12.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1759 8.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1759 9.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1378 8.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0449 8.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9015 8.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9015 7.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7344 6.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5672 7.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5672 8.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7344 8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2117 6.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2616 12.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2616 13.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4825 12.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6003 13.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7071 12.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 12.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0346 11.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 10.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2590 10.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9658 11.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7691 10.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9920 9.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3356 8.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5233 9.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0937 11.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0052 10.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0859 9.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2548 9.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3488 9.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2683 10.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3622 11.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0887 7.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5541 5.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6108 5.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4352 7.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1090 5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4108 8.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1170 7.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8478 6.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8762 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1700 6.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1983 6.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0014 12.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9412 11.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4446 9.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7923 9.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0137 8.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5368 10.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2530 11.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2250 11.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4766 10.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7603 9.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0120 8.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8077 15.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4641 16.8443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2763 15.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7060 13.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7943 14.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7138 15.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5448 15.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4509 15.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5314 14.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4375 13.9755 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 2 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 3 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 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 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 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 32 35 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 43 46 1 0 0 0 0 23 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 51 1 0 0 0 0 54 57 1 0 0 0 0 66 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 0 0 0 66 67 1 1 0 0 62 18 1 1 0 0 63 58 1 6 0 0 64 59 1 1 0 0 65 60 1 6 0 0 72 78 1 0 0 0 77 71 1 0 0 0 71 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 0 0 0 77 78 1 1 0 0 73 20 1 1 0 0 74 68 1 6 0 0 75 69 1 1 0 0 76 70 1 6 0 0 67 23 1 0 0 0 83 89 1 0 0 0 88 82 1 0 0 0 82 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 88 89 1 1 0 0 84 22 1 1 0 0 85 79 1 6 0 0 86 80 1 1 0 0 87 81 1 6 0 0 98 93 1 0 0 0 93 94 1 0 0 0 94 95 1 0 0 0 95 96 1 0 0 0 96 97 1 0 0 0 97 98 1 0 0 0 98 99 1 1 0 0 94 21 1 1 0 0 95 90 1 6 0 0 96 91 1 1 0 0 97 92 1 6 0 0 99 24 1 0 0 0 83 36 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010309 > > Delphinidin 3-glucoside-7,3',5'-tri(6-O-p-coumaroyl-beta-glucoside) > C66H69O33 > 1389.37 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > LZMJIHMTGPMNTM-CSCCHIKFSA-O > InChI=1S/C66H68O33/c67-24-42-50(76)54(80)59(85)66(96-42)95-41-23-36-37(71)21-35(91-63-58(84)55(81)51(77)43(97-63)25-88-46(72)16-7-28-1-10-32(68)11-2-28)22-38(36)92-62(41)31-19-39(93-64-60(86)56(82)52(78)44(98-64)26-89-47(73)17-8-29-3-12-33(69)13-4-29)49(75)40(20-31)94-65-61(87)57(83)53(79)45(99-65)27-90-48(74)18-9-30-5-14-34(70)15-6-30/h1-23,42-45,50-61,63-67,76-87H,24-27H2,(H4-,68,69,70,71,72,73,74,75)/p+1/t42-,43-,44-,45-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59-,60-,61-,63-,64-,65-,66-/m1/s1 > C1(O)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=CC=3)=O)O2)C=C2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=12 > - > - > - > - > - > - > 44256914 > - > - > - > - > - > 33090; 217991 > - $$$$