LMPK12111798 LIPID_MAPS_STRUCTURE_DATABASE 60 65 0 0 0 0 0 0 0 0999 V2000 7.7121 17.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7121 16.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 16.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 16.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 17.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 18.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 16.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 16.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 17.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 18.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 15.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 18.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1910 18.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0804 18.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0804 19.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1910 20.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 19.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 15.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3253 20.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 18.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1660 16.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2592 11.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8235 10.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 11.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5766 10.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5341 10.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 11.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1646 11.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7080 10.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1646 9.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 9.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7956 10.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2167 16.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2477 14.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2169 12.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1549 14.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8219 11.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 15.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 15.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2169 14.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7014 13.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6705 13.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1550 12.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3181 11.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1940 12.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9514 12.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9514 10.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1868 10.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1868 9.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9514 9.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7158 9.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7158 10.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9514 8.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3181 11.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3537 14.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1034 15.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0748 14.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2463 16.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9959 17.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9674 16.2775 0.0000 O 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 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 4 3 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 44 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 44 54 2 0 0 0 0 35 44 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 34 55 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 33 58 1 0 0 0 0 22 37 1 0 0 0 0 38 21 1 1 0 0 M END > LMPK12111798 > Kaempferol 3-(2'',3''-diacetyl-4''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside) > 3-[[2-O,3-O-Diacetyl-4-O-(4-hydroxy-cis-cinnamoyl)-6-O-(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]oxy]-4',5,7-trihydroxyflavone > C43H36O17 > 824.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QFYWXPXFEBIELC-ASZZAFOJSA-N > InChI=1S/C43H36O17/c1-22(44)55-41-39(59-35(52)18-8-25-5-13-28(47)14-6-25)33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41)56-23(2)45)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8-/t33-,39-,41+,42-,43+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)/C=C\C4C=CC(O)=CC=4)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 10418008 > - > - > - > - > - > 33090; 58331 > - $$$$