LMPK12010346 LIPID_MAPS_STRUCTURE_DATABASE 50 54 0 0 0 999 V2000 11.7510 10.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7510 9.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6428 8.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5342 9.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5342 10.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6428 10.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4260 8.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3177 9.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3177 10.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4260 10.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2867 10.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1784 10.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0701 10.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0701 11.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1784 12.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2867 11.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8689 12.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3892 8.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0272 10.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6428 7.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1784 13.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9000 10.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1254 6.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 6.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 7.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9063 6.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7968 6.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7968 7.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9834 7.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7990 5.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0234 4.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4075 7.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5128 4.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2985 7.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0955 7.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0018 6.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1140 5.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3170 6.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4291 5.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9688 5.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4612 4.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6329 5.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9721 7.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6773 6.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8916 7.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0545 6.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2981 5.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3841 5.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 6.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 7.1785 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 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 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 33 39 1 0 0 0 38 32 1 0 0 0 32 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 1 0 0 34 18 1 1 0 0 35 29 1 6 0 0 36 30 1 1 0 0 37 31 1 6 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 45 20 1 1 0 0 46 40 1 6 0 0 47 41 1 1 0 0 48 42 1 6 0 0 44 27 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010346 > Delphinidin 3-glucoside-5-(6-malonylglucoside) > 3',4',5',7-Tetrahydroxy-5-[[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]-3-(beta-D-glucopyranosyloxy)flavylium > C30H33O20 > 713.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > SQHCKWQREIIDPL-YEQKKNNOSA-O > InChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)30(49-17)48-16-5-11-14(46-28(16)9-1-12(33)21(38)13(34)2-9)3-10(32)4-15(11)47-29-27(44)25(42)23(40)18(50-29)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p+1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 > C1(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](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=C1 > - > - > - > - > - > - > 11972329 > - > - > - > - > - > 33090; 481018 > - $$$$