LMPK12010210 LIPID_MAPS_STRUCTURE_DATABASE 112122 0 0 0 999 V2000 15.5707 18.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4614 18.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4614 19.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 20.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6799 19.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6799 18.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3522 18.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2429 18.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2429 19.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3522 20.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1852 20.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0278 19.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8703 20.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8703 21.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0278 21.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1852 21.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6216 21.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8485 20.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 17.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1043 18.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0278 22.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8823 15.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9246 15.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4224 14.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8179 13.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2724 13.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3323 13.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7909 12.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1897 11.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1300 11.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6714 12.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7437 10.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4908 10.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5122 14.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0666 13.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0962 13.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5122 12.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3844 11.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3844 11.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5255 10.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5255 9.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3844 9.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2435 9.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2435 10.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3844 8.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9060 9.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4828 9.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1516 10.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6215 9.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 8.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9595 8.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4726 9.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 9.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0123 8.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 8.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4726 8.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1472 8.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8361 10.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8564 15.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8362 14.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5353 16.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9075 17.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2868 18.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5632 17.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2060 16.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1932 15.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5429 16.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9001 17.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2497 18.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5426 16.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9982 14.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0195 14.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8406 16.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8341 17.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5532 16.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2791 15.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2897 15.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5706 15.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5812 15.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9126 18.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8428 19.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3977 18.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2880 16.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9154 16.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5050 17.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6900 18.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6580 18.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4353 17.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2503 16.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0277 16.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8403 6.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8574 5.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4241 7.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6736 8.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0396 8.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3957 8.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1236 7.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1294 6.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4129 7.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6850 8.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9684 9.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0507 9.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6806 7.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7540 6.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3405 9.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1924 7.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3075 9.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0874 9.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9005 8.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9373 7.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1574 8.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1941 8.0558 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 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 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 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 43 1 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 42 45 1 0 0 0 0 43 46 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 53 58 1 0 0 0 0 63 69 1 0 0 0 68 62 1 0 0 0 62 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 0 0 0 68 69 1 1 0 0 64 19 1 1 0 0 65 59 1 6 0 0 66 60 1 1 0 0 67 61 1 6 0 0 78 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 0 0 0 78 79 1 1 0 0 74 20 1 1 0 0 75 70 1 6 0 0 76 71 1 1 0 0 77 72 1 6 0 0 34 79 1 0 0 0 84 90 1 0 0 0 89 83 1 0 0 0 83 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 0 0 0 89 90 1 1 0 0 85 70 1 1 0 0 86 80 1 6 0 0 87 81 1 1 0 0 88 82 1 6 0 0 84 22 1 0 0 0 0 95101 1 0 0 0 100 94 1 0 0 0 94 96 1 0 0 0 96 97 1 0 0 0 97 98 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 1 0 0 96 45 1 1 0 0 97 91 1 6 0 0 98 92 1 1 0 0 99 93 1 6 0 0 95 47 1 0 0 0 0 106112 1 0 0 0 111105 1 0 0 0 105107 1 0 0 0 107108 1 0 0 0 108109 1 0 0 0 109110 1 0 0 0 110111 1 0 0 0 111112 1 1 0 0 107 33 1 1 0 0 108102 1 6 0 0 109103 1 1 0 0 110104 1 6 0 0 M CHG 1 10 1 M END > LMPK12010210 > > Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-beta-D-glucopyranposyl)caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] > C72H79O40 > 1583.41 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > GCCDPPQEZBMKPT-PNXRLUPQSA-O > InChI=1S/C72H78O40/c73-22-44-52(85)57(90)62(95)69(107-44)104-41-20-31(75)19-40-32(41)21-43(66(102-40)30-7-10-34(77)37(80)18-30)106-72-67(112-71-65(98)60(93)55(88)47(110-71)25-100-51(84)14-6-29-2-9-35(78)42(17-29)105-70-63(96)58(91)53(86)45(23-74)108-70)61(94)56(89)48(111-72)26-101-50(83)13-5-28-3-11-39(38(81)16-28)103-68-64(97)59(92)54(87)46(109-68)24-99-49(82)12-4-27-1-8-33(76)36(79)15-27/h1-21,44-48,52-65,67-74,85-98H,22-26H2,(H6-,75,76,77,78,79,80,81,82,84)/p+1/b13-5+/t44-,45-,46-,47-,48-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62-,63-,64-,65-,67-,68-,69-,70-,71+,72-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C(O)C=C2[O+]=C(C3C=C(O)C(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=C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C(O)=CC=5)=O)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=C(O)C(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C6C=CC(O)=C(O)C=6)=O)O5)=CC=4)=O)O3)=CC=12 > - > - > - > - > - > - > 178335834 > - > - > - > - > - > 33090; 4121 > 7492373 $$$$