LMPK12010033 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 7.5474 15.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 14.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 14.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3313 14.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3313 15.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 16.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2232 14.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1151 14.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1151 15.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2232 16.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0066 16.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9156 15.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8246 16.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8246 17.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9156 18.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0066 17.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6558 16.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7333 18.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 13.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9237 14.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7185 10.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1064 10.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2606 11.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 10.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5332 11.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 11.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 10.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2027 9.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0966 9.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 9.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0378 8.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0238 6.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 5.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 6.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3239 8.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8568 7.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1801 8.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 7.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3098 6.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4593 7.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4663 8.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 8.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7228 15.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3357 13.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1472 11.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6371 12.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6151 11.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7290 13.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6285 14.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4362 13.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3419 12.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4424 12.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3482 11.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4796 10.5756 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 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 2 0 0 0 0 23 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 24 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 37 1 0 0 0 37 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 1 0 0 37 31 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 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 21 47 2 0 0 0 0 53 54 1 0 0 0 54 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010033 > Pelargonidin 3-[6-(3-glucosylcaffeyl) glucoside] > 2-(4-Hydroxyphenyl)-3-[ 6-O-[(E)-3-[4-hydroxy-3-(beta-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]-5,7-dihydroxy-1-benzopyrylium > C36H37O18 > 757.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > KFWADCOQNMESHV-AQAMAIGXSA-O > InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-9-15(1-7-20(23)40)2-8-27(42)49-14-26-29(44)31(46)33(48)36(54-26)52-24-12-19-21(41)10-18(39)11-22(19)50-34(24)16-3-5-17(38)6-4-16/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/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(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C(O)=CC=4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256638 > - > - > - > - > - > 33090; 35883 > - $$$$