LMPK12110329 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 999 V2000 16.3361 3.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4049 3.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4735 3.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4735 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4049 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3361 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5423 3.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6109 3.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6421 2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5423 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7280 3.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5423 0.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4049 0.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3551 3.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2865 3.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2179 3.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2179 4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3551 4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8068 0.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1671 -0.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3582 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 2.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4802 1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8152 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9024 0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0797 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1754 0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0882 1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0096 3.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9968 1.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0075 3.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6372 1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5141 4.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5147 4.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0090 3.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5025 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5019 2.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9954 1.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7363 -0.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2406 -2.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8168 -3.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3462 -1.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3086 -4.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0597 -0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0243 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2759 -1.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5639 -2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5993 -2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8873 -3.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4785 -5.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8905 -4.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8398 -4.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3146 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2641 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7381 -4.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6861 -4.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1601 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6861 -6.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7381 -6.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1095 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0212 5.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0198 5.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2865 5.4388 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 18 14 1 0 0 0 0 23 29 1 0 0 0 28 22 1 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 1 0 0 25 19 1 6 0 0 26 20 1 1 0 0 27 21 1 6 0 0 24 9 1 1 0 0 33 39 1 0 0 0 38 32 1 0 0 0 32 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 1 0 0 36 30 1 1 0 0 37 31 1 6 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 45 19 1 1 0 0 46 40 1 6 0 0 47 41 1 1 0 0 48 42 1 6 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 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 55 1 0 0 0 0 58 61 1 0 0 0 0 51 52 2 0 0 0 0 52 44 1 0 0 0 0 35 62 1 6 0 0 34 63 1 1 0 0 17 63 1 0 0 0 0 64 18 2 0 0 0 0 17 64 1 0 0 0 0 M END > LMPK12110329 > Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside 4'-O-glucoside > > C42H46O22 > 902.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QYVCMCHTBHFWCZ-RGXJHXSYSA-N > InChI=1S/C42H46O22/c43-13-24-31(50)36(55)40(64-42-38(57)35(54)32(51)26(63-42)15-58-27(48)10-3-16-1-6-18(45)7-2-16)39(61-24)29-21(47)12-23-28(33(29)52)20(46)11-22(60-23)17-4-8-19(9-5-17)59-41-37(56)34(53)30(49)25(14-44)62-41/h1-12,24-26,30-32,34-45,47,49-57H,13-15H2/b10-3+/t24-,25-,26-,30-,31-,32-,34+,35+,36+,37-,38-,39+,40-,41-,42+/m1/s1 > C1(C2C=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2)=CC(=O)C2C(O)=C([C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C5C=CC(O)=CC=5)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O)=CC=2O1 > - > - > - > - > - > - > 102587838 > - > - > - > - > - > 33090 > - $$$$