LMPK12110327 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 14.0861 3.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1549 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2235 3.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2235 2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1549 1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0861 2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2923 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3609 3.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 2.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2923 1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4780 3.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2923 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1549 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1051 4.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0365 3.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9679 4.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9679 5.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0365 5.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1051 5.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7698 5.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5568 0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 -0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1082 0.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6553 2.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2302 1.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5652 1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6524 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8297 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9254 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8382 1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 2.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 3.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6223 4.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2608 5.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0510 6.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 3.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8355 3.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5853 4.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2978 5.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0475 6.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 7.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0114 8.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4565 7.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 6.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 6.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 7.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3444 7.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 6.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3444 5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 6.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 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 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 26 9 1 1 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 1 0 0 37 11 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 36 43 1 0 0 0 0 M END > LMPK12110327 > Isovitexin 7-O-(6'''-O-E-p-coumaroyl)glucoside > > C36H36O17 > 740.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NUFCZKSATPHTRO-RPWCKPLOSA-N > InChI=1S/C36H36O17/c37-13-23-28(42)31(45)33(47)35(51-23)27-22(12-21-26(30(27)44)19(40)11-20(50-21)16-4-8-18(39)9-5-16)52-36-34(48)32(46)29(43)24(53-36)14-49-25(41)10-3-15-1-6-17(38)7-2-15/h1-12,23-24,28-29,31-39,42-48H,13-14H2/b10-3+/t23-,24-,28-,29-,31+,32+,33-,34-,35+,36-/m1/s1 > C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)=CC=2O1 > - > - > - > - > - > - > 101227525 > - > - > - > - > - > 33090 > - $$$$