LMPK12111002 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 0 0 0 0 0999 V2000 11.5819 1.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 2.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 1.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9579 1.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9883 0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 2.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -0.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 -0.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 2.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4793 1.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3854 2.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3854 3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4793 3.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1655 3.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 3.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1394 5.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8231 5.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6687 3.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 5.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8242 3.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9812 3.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9824 4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 5.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6673 4.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5092 5.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4462 2.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 3.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 5.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3064 4.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 6.3401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3008 3.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 3.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 3.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6214 4.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 5.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 6.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 7.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 7.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 7.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 6.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 6.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 6.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 6.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 6.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 5.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 5.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 6.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 7.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 7.6616 0.0000 C 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 7 1 1 0 0 11 32 1 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 38 21 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 51 54 1 0 0 0 0 50 55 1 0 0 0 0 55 56 1 0 0 0 0 44 37 1 0 0 0 0 M END > LMPK12111002 > Isoswertisin 6'''-O-feruloyl 2''-O-glucoside > 5,4'-Dihydroxy-7-methoxyflavone 8-C-[feruloyl-(1->6)-glucoside]-2"-O-glucoside > C38H40O18 > 784.22 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NOVNUXFLDIDOCB-TVMLTEFGSA-N > InChI=1S/C38H40O18/c1-50-23-11-16(3-9-19(23)41)4-10-27(44)52-15-26-31(46)32(47)34(49)38(55-26)56-37-33(48)30(45)25(14-39)54-36(37)29-24(51-2)13-21(43)28-20(42)12-22(53-35(28)29)17-5-7-18(40)8-6-17/h3-13,25-26,30-34,36-41,43,45-49H,14-15H2,1-2H3/b10-4+/t25-,26-,30-,31-,32+,33+,34-,36+,37-,38+/m1/s1 > C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O)=CC(OC)=C([C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=C(OC)C=5)=O)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=2O1 > - > - > - > - > - > - > 10795344 > - > - > - > - > - > 33090; 714518 > - $$$$