LMPK12112267 LIPID_MAPS_STRUCTURE_DATABASE 65 71 0 0 0 999 V2000 10.8006 16.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8006 15.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 14.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5906 15.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5906 16.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 16.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4856 14.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3807 15.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3807 16.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4856 16.5996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4856 13.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2754 16.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1874 16.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0997 16.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0997 17.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1874 18.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2754 17.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9059 16.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0116 18.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0146 14.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 13.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1874 19.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4968 13.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1407 11.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2863 10.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8883 13.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7832 10.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8189 13.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5697 12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3898 11.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4628 11.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7121 12.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7848 11.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0205 14.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9290 15.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3086 14.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1434 12.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6787 12.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4483 13.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7103 14.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6673 14.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3569 13.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0950 12.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7847 12.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7830 15.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 15.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 16.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 17.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9431 16.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3817 15.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 15.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0131 16.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5746 17.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1733 18.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3328 10.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8369 9.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3264 10.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8233 9.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 9.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 10.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3056 10.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8019 9.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3057 8.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3134 8.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7954 9.1317 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 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 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 39 23 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 28 20 1 1 0 0 53 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 0 0 0 53 54 1 6 0 0 49 18 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 59 1 0 0 0 0 62 65 1 0 0 0 0 27 55 1 0 0 0 0 M END > LMPK12112267 > Quercetin 3-(6''-(E)-p-coumaroylsophoroside)-7-rhamnoside > > C42H46O23 > 918.24 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YYBUGTDXSVDSBB-WBHBZCBISA-N > InChI=1S/C42H46O23/c1-15-28(49)32(53)35(56)40(59-15)60-19-11-22(47)27-23(12-19)61-37(17-5-8-20(45)21(46)10-17)38(31(27)52)64-42-39(65-41-36(57)33(54)29(50)24(13-43)62-41)34(55)30(51)25(63-42)14-58-26(48)9-4-16-2-6-18(44)7-3-16/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1 > C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=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](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 21577082 > - > - > - > - > - > 33090 > - $$$$