LMPK12010043 LIPID_MAPS_STRUCTURE_DATABASE 65 71 0 0 0 999 V2000 7.0518 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0518 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9527 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9527 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7544 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6553 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6553 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7544 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5559 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4740 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3921 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3921 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4740 2.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5559 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1514 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3101 2.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9527 -2.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3828 -1.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5505 -5.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0818 -5.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2475 -5.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9784 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5102 -5.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5735 -5.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5735 -7.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5102 -7.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1701 -6.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5605 -6.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9387 -4.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1997 -5.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 -4.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -2.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 -3.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 -2.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -3.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2066 -4.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -3.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3541 -2.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -2.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0287 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8351 -1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9924 -3.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3661 -3.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2844 -2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1073 -1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0122 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0908 -2.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2678 -3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3464 -4.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0739 -8.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3767 -10.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -10.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 -9.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4505 -7.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -7.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0905 -8.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 -9.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 -9.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1186 -8.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 -7.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8324 -7.2248 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 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 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 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 25 1 0 0 0 0 28 31 1 0 0 0 0 22 32 2 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 19 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 52 47 1 0 0 0 47 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 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 53 21 1 0 0 0 29 54 1 0 0 0 59 65 1 0 0 0 64 58 1 0 0 0 58 60 1 0 0 0 60 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 1 0 0 60 54 1 1 0 0 61 55 1 6 0 0 62 56 1 1 0 0 63 57 1 6 0 0 M CHG 1 10 1 M END > LMPK12010043 > Pelargonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside > 2-(4-Hydroxyphenyl)-3-[6-O-[(E)-3-[4-hydroxy-3-(beta-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium > C42H47O23 > 919.25 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HTLUCIJWECOOTO-ZGHDLNAXSA-O > InChI=1S/C42H46O23/c43-13-26-30(49)33(52)36(55)40(63-26)60-23-11-19(46)10-22-20(23)12-25(39(59-22)17-3-5-18(45)6-4-17)62-42-38(57)35(54)32(51)28(65-42)15-58-29(48)8-2-16-1-7-21(47)24(9-16)61-41-37(56)34(53)31(50)27(14-44)64-41/h1-12,26-28,30-38,40-44,49-57H,13-15H2,(H2-,45,46,47,48)/p+1/t26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/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[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 44256648 > - > - > - > - > - > 33090; 35883 > - $$$$