LMPK12112622 LIPID_MAPS_STRUCTURE_DATABASE 53 57 0 0 0 0 0 0 0 0999 V2000 12.9731 14.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1161 15.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1161 16.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9731 16.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8301 16.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8301 15.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 14.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4023 15.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 14.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 13.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4023 13.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 13.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 15.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8315 14.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8315 13.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 13.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4023 12.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9744 15.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1161 13.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 12.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6871 16.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9731 17.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1396 14.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 8.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 9.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 8.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9283 9.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 9.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 9.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2642 10.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0515 10.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5205 10.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1802 11.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7360 11.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9833 10.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7360 10.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6995 10.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3878 10.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4244 10.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4244 11.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3878 11.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7009 12.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5981 11.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0731 10.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1184 9.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9224 12.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6018 9.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9039 12.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6206 11.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3562 10.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3789 10.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6621 11.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6847 10.9495 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 32 33 2 0 0 0 0 29 32 1 0 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 35 1 0 0 0 0 41 42 1 6 0 0 0 47 53 1 0 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 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 1 0 0 40 43 1 1 0 0 0 48 19 1 1 0 0 47 32 1 0 0 0 0 M END > LMPK12112622 > Quercetin 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside] > 3-[[2-O-D-Apio-beta-D-furanosyl-6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one > C33H38O20 > 754.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Rhamnetin 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside] > LBWBQACKWAITFN-AZOHPAJYSA-N > InChI=1S/C33H38O20/c1-32(45,8-20(38)39)9-21(40)48-10-19-23(41)25(43)28(53-31-29(44)33(46,11-34)12-49-31)30(51-19)52-27-24(42)22-17(37)6-14(47-2)7-18(22)50-26(27)13-3-4-15(35)16(36)5-13/h3-7,19,23,25,28-31,34-37,41,43-46H,8-12H2,1-2H3,(H,38,39)/t19-,23+,25+,28-,29+,30+,31+,32?,33-/m1/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@](CO3)(CO)O)[C@@H](O)[C@@H](O)[C@@H](COC(CC(C)(O)CC(=O)O)=O)O2)C(=O)C2C(O)=CC(OC)=CC=2O1 > - > - > - > - > - > - > 21668679 > - > - > - > - > - > 33090; 1042474 > 11975505 $$$$