LMPK12110570 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 0 0 0 0 0999 V2000 9.2424 12.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2424 11.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1084 11.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9742 11.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9742 12.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1084 13.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8403 13.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3763 13.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5104 12.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5104 11.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3763 11.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7063 12.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5723 13.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5723 14.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7063 14.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8403 14.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1084 10.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4382 12.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3763 10.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6443 13.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4382 14.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8403 11.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1271 8.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2611 8.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 8.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5289 8.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 8.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2611 7.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5289 7.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7830 11.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4454 9.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1660 7.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5312 9.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1720 10.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1432 10.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4741 9.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8343 8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8631 8.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2233 8.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1895 12.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0939 11.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5881 10.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9841 9.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7333 10.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4365 11.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3907 11.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6378 10.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9345 9.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1816 8.6788 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 2 1 0 0 0 0 7 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 7 1 0 0 0 0 3 17 2 0 0 0 0 14 21 1 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 9 20 1 0 0 0 0 4 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 24 28 2 0 0 0 0 26 29 2 0 0 0 0 38 33 1 0 0 0 33 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 22 1 1 0 0 35 30 1 6 0 0 36 31 1 1 0 0 37 32 1 6 0 0 48 43 1 0 0 0 43 44 1 0 0 0 44 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 6 0 0 44 30 1 1 0 0 45 40 1 6 0 0 46 41 1 6 0 0 47 42 1 1 0 0 23 39 1 0 0 0 M END > LMPK12110570 > Quercetin 3-(6''-malonylneohesperidoside) > 3-[[6-O-(carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one > C30H32O19 > 696.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Quercetin 3-O-(2''-O-alpha-rhamnosyl-6''-O-malonyl)-beta-glucoside > NTHFGJOIFSTXSI-VOGLLJHSSA-N > InChI=1S/C30H32O19/c1-9-20(38)23(41)25(43)29(45-9)49-28-24(42)21(39)16(8-44-18(37)7-17(35)36)47-30(28)48-27-22(40)19-14(34)5-11(31)6-15(19)46-26(27)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,28-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24-,25+,28+,29-,30-/m0/s1 > C12C=C(O)C=C(O)C=1C(=O)C(O[C@H]1[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O1)=C(C1C=CC(O)=C(O)C=1)O2 > - > - > - > - > - > - > 5320856 > - > - > - > - > - > 33090; 43366 > - $$$$