LMPK12112962 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 18.7544 8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8658 9.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8658 10.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7544 10.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6429 10.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6429 9.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9772 8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0887 9.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2001 8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2001 7.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0887 7.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9772 7.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3117 9.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4232 8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4232 7.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3117 7.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0887 6.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5346 9.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8658 7.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3117 6.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5314 10.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7544 11.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6010 7.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6010 6.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 11.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 12.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4402 10.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0264 9.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4194 10.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2373 7.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 8.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6012 10.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2144 10.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8979 11.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5522 9.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9036 8.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 9.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5835 9.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 10.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8985 11.6787 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 15 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 36 1 0 0 0 36 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 1 0 0 36 18 1 1 0 0 37 31 1 6 0 0 38 32 1 6 0 0 39 33 1 1 0 0 35 25 1 0 0 0 0 M END > LMPK12112962 > Patuletin 7-[6''-(2-methylbutyryl)-glucoside] > > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Quercetagetin 6-methyl ether 7-[6''-(2-methylbutyryl)-glucoside] > SFYSEZGEYNZKDD-LIPXJLAMSA-N > InChI=1S/C27H30O14/c1-4-10(2)26(36)38-9-16-18(30)21(33)23(35)27(41-16)40-15-8-14-17(20(32)25(15)37-3)19(31)22(34)24(39-14)11-5-6-12(28)13(29)7-11/h5-8,10,16,18,21,23,27-30,32-35H,4,9H2,1-3H3/t10?,16-,18+,21-,23-,27-/m1/s1 > C1C=C(O)C(O)=CC=1C1=C(O)C(=O)C2C(O)=C(OC)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H](COC(C(CC)C)=O)O3)=CC=2O1 > - > - > - > - > - > - > 44259852 > - > - > - > - > - > 33090 > - $$$$