LMPK12010311 LIPID_MAPS_STRUCTURE_DATABASE 52 56 0 0 0 999 V2000 15.4294 13.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3859 14.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3859 15.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4294 16.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4730 15.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4730 14.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1382 16.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1500 14.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5401 13.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6211 14.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7022 13.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7022 12.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6211 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5401 12.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7832 14.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8642 13.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8642 12.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7832 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0519 14.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5781 12.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7832 11.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4294 16.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0211 7.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0974 7.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5917 7.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9673 6.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1238 6.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5971 5.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5469 5.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9696 5.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0882 11.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7299 9.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8648 8.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4645 11.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3530 8.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4006 11.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1557 10.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9747 9.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0423 9.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2872 10.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3547 9.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5963 9.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7927 8.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1812 9.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0729 11.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5551 11.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8840 11.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7906 10.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8860 9.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 10.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1738 11.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3681 11.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 2 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 18 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 36 1 0 0 0 36 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 1 0 0 36 20 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 46 52 1 0 0 0 51 45 1 0 0 0 45 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 1 0 0 47 21 1 1 0 0 48 42 1 6 0 0 49 43 1 1 0 0 50 44 1 6 0 0 35 23 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010311 > Delphinidin 3-(6''-O-4-malyl-glucosyl)-5-glucoside > 2-(3,4,5-Trihydroxyphenyl)-3-[[6-O-(3,4-dihydroxy-1,4-dioxobutyl)-beta-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium > C31H35O21 > 743.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > PHTJSTPAIIRNLP-QAGIGJJWSA-O > InChI=1S/C31H34O21/c32-7-18-22(39)24(41)26(43)30(51-18)49-16-4-10(33)3-15-11(16)5-17(28(48-15)9-1-12(34)21(38)13(35)2-9)50-31-27(44)25(42)23(40)19(52-31)8-47-20(37)6-14(36)29(45)46/h1-5,14,18-19,22-27,30-32,36,39-44H,6-8H2,(H4-,33,34,35,38,45,46)/p+1/t14?,18-,19-,22-,23-,24+,25+,26-,27-,30-,31-/m1/s1 > C1C(C2C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(C(O)=O)O)=O)O3)=CC3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC(O)=CC=3[O+]=2)=CC(O)=C(O)C=1O > - > - > - > - > - > - > 101243493 > - > - > - > - > - > 33090; 3570 > 12657292 $$$$