LMPK12112271 LIPID_MAPS_STRUCTURE_DATABASE 66 72 0 0 0 999 V2000 17.1457 14.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2575 15.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2575 16.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1457 16.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0338 16.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0338 15.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3696 14.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4815 15.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5932 14.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5932 13.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4815 13.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3696 13.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 15.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 14.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 13.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 13.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4815 12.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9289 15.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1140 12.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 12.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7695 16.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1457 17.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6057 7.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1178 6.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5816 7.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0696 7.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0453 7.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5326 7.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5070 7.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9943 7.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5070 8.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5326 8.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9702 7.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7885 6.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8857 6.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2310 13.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2573 12.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 14.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 15.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 15.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9445 14.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 13.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 13.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 14.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3197 15.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6843 16.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5191 11.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9873 9.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0541 9.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8794 11.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8499 11.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5525 11.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2846 10.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3181 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6155 10.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3389 12.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9704 11.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7798 9.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2406 9.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3337 10.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2435 11.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0606 10.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9652 9.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0553 9.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9599 8.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0914 7.8931 0.0000 O 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 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 41 18 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 55 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 51 19 1 1 0 0 52 47 1 6 0 0 53 48 1 1 0 0 54 49 1 1 0 0 64 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 1 0 0 60 47 1 1 0 0 61 56 1 6 0 0 62 57 1 1 0 0 63 58 1 6 0 0 65 66 1 0 0 0 66 23 1 0 0 0 0 M END > LMPK12112271 > Quercetin 3-[(6''-feruloylglucosyl)-(1->2)-beta-arabinopyranoside]-7-glucoside > > C42H46O24 > 934.24 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > FRAGXEORXUIKAD-AJMAAKASSA-N > InChI=1S/C42H46O24/c1-58-23-8-15(2-5-19(23)45)3-7-27(49)59-14-26-31(52)34(55)36(57)41(64-26)66-39-29(50)22(48)13-60-42(39)65-38-32(53)28-21(47)10-17(61-40-35(56)33(54)30(51)25(12-43)63-40)11-24(28)62-37(38)16-4-6-18(44)20(46)9-16/h2-11,22,25-26,29-31,33-36,39-48,50-52,54-57H,12-14H2,1H3/b7-3+/t22-,25+,26+,29-,30+,31+,33-,34-,35+,36+,39+,40+,41-,42-/m0/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=C(OC)C=4)=O)O3)[C@@H](O)[C@@H](O)CO2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1 > - > - > - > - > - > - > 44259315 > - > - > - > - > - > 33090 > - $$$$