LMPK12110752 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 10.0439 7.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2027 7.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 6.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4905 6.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4386 7.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4311 7.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4311 5.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4386 5.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9217 6.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 15.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 14.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9718 13.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8809 14.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8809 15.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9718 16.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7904 13.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6995 14.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6995 15.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7904 16.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7904 13.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1538 16.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9718 12.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7096 16.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6675 15.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6256 16.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6256 17.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6675 17.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7096 17.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3634 17.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5831 15.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9914 12.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2579 11.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 12.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2576 14.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 13.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1273 13.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1273 12.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2576 12.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3938 12.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3938 13.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 14.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5832 14.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9208 11.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4251 9.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0013 8.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 10.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4931 8.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2442 11.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2089 11.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4604 10.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7485 9.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7838 9.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0718 9.0544 0.0000 C 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 1 5 2 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 12 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 17 1 0 0 0 0 17 12 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 18 22 2 0 0 0 0 12 23 1 0 0 0 0 14 24 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 25 1 0 0 0 0 25 20 1 0 0 0 0 28 31 1 0 0 0 0 27 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 38 13 1 1 0 0 32 44 1 0 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 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 1 0 0 50 33 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 49 1 1 0 0 0 0 M END > LMPK12110752 > Isoscoparin 2''-(6-(E)-p-coumaroylglucoside) > > C37H38O18 > 770.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PLLYYRRPIIWFON-GABICUSWSA-N > InChI=1S/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-4+/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37+/m1/s1 > C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C2=C(O)C3C(=O)C=C(C4C=CC(O)=C(OC)C=4)OC=3C=C2O)O1)(=O)/C=C/C1C=CC(O)=CC=1 > - > - > - > - > - > - > 21722001 > - > - > - > - > - > 33090 > - $$$$