LMPK12010203 LIPID_MAPS_STRUCTURE_DATABASE 115125 0 0 0 999 V2000 14.0284 24.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9156 24.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9156 25.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0284 26.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1411 25.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1411 24.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8030 24.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6900 24.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6900 25.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8030 26.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5354 26.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3837 25.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2319 26.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2319 27.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3837 27.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5354 27.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1130 27.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4154 26.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0284 23.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3282 24.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8739 25.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2648 24.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4578 25.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2648 24.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 23.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 22.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2326 22.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2326 21.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 20.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 21.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 22.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 19.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 20.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5522 20.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0267 19.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0449 25.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6227 20.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5206 21.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6227 19.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8612 19.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8612 18.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9639 17.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9639 16.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8612 16.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7579 16.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7579 17.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8406 15.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6900 17.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6541 16.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8850 16.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9734 16.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0411 16.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1868 16.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3327 16.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3327 15.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1868 14.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0411 15.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5781 14.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7211 18.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3296 18.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9285 18.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4008 24.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6151 23.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8493 24.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6368 26.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5253 25.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5180 24.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6223 24.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7395 24.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 25.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8639 26.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4939 22.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6128 20.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5704 20.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8639 23.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1373 21.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8898 23.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4727 22.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0298 21.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0087 21.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4258 22.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4045 22.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0915 25.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2574 24.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3762 22.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1873 23.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0540 21.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6276 24.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6509 24.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2341 24.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7935 23.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7701 23.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3295 22.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1246 13.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0997 13.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7959 14.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1735 16.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5467 16.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8307 15.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4727 14.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4575 14.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8057 14.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1637 15.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5118 16.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5389 13.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 13.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4757 14.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 15.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 16.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5537 14.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0341 14.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0048 14.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5001 14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0197 15.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 16.7685 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 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 21 22 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 33 34 2 0 0 0 0 33 35 1 0 0 0 0 13 36 1 0 0 0 0 37 38 2 0 0 0 0 37 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 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 44 47 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 52 1 0 0 0 0 55 58 1 0 0 0 0 35 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 2 0 0 0 0 70 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 0 0 0 69 70 1 0 0 0 70 71 1 1 0 0 66 18 1 1 0 0 67 62 1 6 0 0 68 63 1 1 0 0 69 64 1 6 0 0 21 71 1 0 0 0 76 82 1 0 0 0 81 75 1 0 0 0 75 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 1 0 0 77 20 1 1 0 0 78 72 1 6 0 0 79 73 1 1 0 0 80 74 1 6 0 0 76 33 1 0 0 0 0 87 93 1 0 0 0 92 86 1 0 0 0 86 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 1 0 0 88 36 1 1 0 0 89 83 1 6 0 0 90 84 1 1 0 0 91 85 1 6 0 0 87 37 1 0 0 0 0 98104 1 0 0 0 103 97 1 0 0 0 97 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 101102 1 0 0 0 102103 1 0 0 0 103104 1 1 0 0 99 47 1 1 0 0 100 94 1 6 0 0 101 95 1 1 0 0 102 96 1 6 0 0 49 98 1 0 0 0 0 109115 1 0 0 0 114108 1 0 0 0 108110 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 114115 1 1 0 0 110 58 1 1 0 0 111105 1 6 0 0 112106 1 1 0 0 113107 1 6 0 0 M CHG 1 10 1 M END > LMPK12010203 > > Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7-O-[6-O-(trans-p-coumaryl)-beta-D-glucopyranoside]-3'-O-[6-O-(trans-4-O-(6-O-(trans-4-O-(beta-D-glucopyranosyl)-p-coumaryl)-beta-D-glucopyranoside] > C75H81O40 > 1621.43 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > DIBOOPKUGMVTHI-UHFPORIQSA-O > InChI=1S/C75H80O40/c76-26-45-55(86)60(91)65(96)71(111-45)105-36-13-3-32(4-14-36)8-19-52(83)101-27-46-56(87)61(92)66(97)72(112-46)106-37-15-5-33(6-16-37)9-20-53(84)103-29-48-58(89)63(94)68(99)74(114-48)109-43-21-34(10-17-40(43)78)70-44(110-75-69(100)64(95)59(90)49(115-75)30-104-54(85)25-50(80)81)24-39-41(79)22-38(23-42(39)108-70)107-73-67(98)62(93)57(88)47(113-73)28-102-51(82)18-7-31-1-11-35(77)12-2-31/h1-24,45-49,55-69,71-76,86-100H,25-30H2,(H3-,77,78,79,80,81,82)/p+1/b19-8+,20-9+/t45-,46-,47-,48-,49-,55-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65-,66-,67-,68-,69-,71-,72-,73-,74-,75-/m1/s1 > C1(O)=CC(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)=CC2[O+]=C(C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C7C=CC(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=CC=7)=O)O6)=CC=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(=O)O)=O)O3)=CC1=2 > - > - > - > - > - > - > 44256808 > - > - > - > - > - > 33090; 78707 > - $$$$