LMPK12112113 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 7.5998 12.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 11.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4673 11.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3348 11.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3348 12.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4673 13.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2025 11.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0703 11.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0703 12.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2025 13.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2025 10.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9372 13.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8215 12.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7059 13.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7059 14.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8215 14.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9372 14.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 13.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9672 11.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4673 10.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6943 14.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8215 15.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0819 9.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2294 7.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2532 7.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5372 10.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8666 8.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5300 10.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 9.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6654 8.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6773 8.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1134 9.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 9.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 6.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5422 4.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 5.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3016 7.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 7.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7068 6.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 5.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 5.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7286 6.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 6.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8884 10.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5081 9.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3188 7.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7982 8.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8906 8.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7938 9.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6048 8.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5101 7.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6069 7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5135 6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6045 6.0205 0.0000 O 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 16 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 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 0 0 0 41 42 1 0 0 0 42 43 1 6 0 0 38 27 1 1 0 0 39 34 1 6 0 0 40 35 1 6 0 0 41 36 1 1 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 48 23 1 1 0 0 49 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 52 53 1 1 0 0 53 54 1 0 0 0 28 19 1 1 0 0 M END > LMPK12112113 > Quercetin 3-(2G-glucosylrutinoside) > > C33H40O21 > 772.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MNMUPTOJETVJCW-WHBTYZLHSA-N > InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 100913778 > - > - > - > - > - > 33090 > - $$$$