LMPK12010306 LIPID_MAPS_STRUCTURE_DATABASE 64 69 0 0 0 999 V2000 12.6980 10.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6141 10.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6141 11.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6980 12.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 11.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 10.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 10.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4460 10.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4460 11.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 12.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3187 12.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1945 11.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0703 12.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0703 13.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1945 13.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3187 13.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9798 13.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0326 12.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6980 9.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1028 10.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2169 14.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0243 11.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9374 11.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5259 12.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0227 11.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0272 6.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7036 7.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0272 5.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4590 6.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2301 7.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0878 6.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9458 7.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9458 8.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0878 8.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2301 8.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6045 8.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9540 6.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9464 7.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9540 5.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 12.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 12.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9957 12.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6932 11.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6280 10.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9688 8.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2422 8.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3940 7.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0684 9.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8636 10.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8329 10.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0031 9.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2079 8.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3782 7.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5036 7.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6265 6.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9494 7.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 9.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7622 8.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6651 7.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 7.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8852 7.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9824 8.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1438 9.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1490 10.6034 0.0000 O 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 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 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 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 47 26 1 0 0 0 0 62 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 1 0 0 58 19 1 1 0 0 59 54 1 6 0 0 60 55 1 1 0 0 61 56 1 6 0 0 56 37 1 0 0 0 0 63 64 1 0 0 0 64 23 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010306 > Acetylmalonylawobanin > Delphinidin 3-O-[6-O-(p-coumaroyl)-beta-D-glucopyranoside]-5-O-[4-O-acetyl-6-O-malonyl-beta-D-glucopyranoside] > C41H41O23 > 901.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > DBWMGCIKSXJMRD-DXTZFQQPSA-O > InChI=1S/C41H40O23/c1-16(42)59-39-28(15-58-31(50)13-29(47)48)64-41(37(56)35(39)54)61-25-11-20(44)10-24-21(25)12-26(38(60-24)18-8-22(45)32(51)23(46)9-18)62-40-36(55)34(53)33(52)27(63-40)14-57-30(49)7-4-17-2-5-19(43)6-3-17/h2-12,27-28,33-37,39-41,52-56H,13-15H2,1H3,(H5-,43,44,45,46,47,48,49,51)/p+1/t27-,28-,33-,34+,35-,36-,37-,39-,40-,41-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)C)[C@@H](COC(CC(=O)O)=O)O2)=CC(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C4C=CC(O)=CC=4)O3)=CC1=2 > - > - > - > - > - > - > 100916165 > - > - > - > - > - > 33090; 49219 > - $$$$