LMPK12111792 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.4841 13.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 12.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 12.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1617 12.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1681 13.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3294 14.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 12.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8457 12.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 13.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0132 14.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9955 11.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6971 14.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5520 13.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4132 14.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4199 15.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5651 15.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7037 15.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8211 11.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2811 15.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3101 11.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8310 8.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 7.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5945 9.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7016 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4818 9.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2266 10.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9231 11.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8747 11.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1298 10.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4335 9.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3722 11.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6407 12.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1742 12.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4687 13.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2767 12.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4342 10.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8054 10.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7526 8.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7236 11.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5474 12.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4531 11.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5317 10.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 10.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7867 9.0246 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 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 18 8 1 0 0 0 0 15 19 1 0 0 0 0 3 20 1 0 0 0 0 1 21 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 28 33 1 0 0 0 0 33 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 40 18 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 39 22 1 0 0 0 0 M END > LMPK12111792 > Kaempferol 3-(6''-ferulylglucoside) > > C31H28O14 > 624.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > RKHQLCNACMCZQU-GWPISODLSA-N > InChI=1S/C31H28O14/c1-41-20-10-14(2-8-18(20)34)3-9-23(36)42-13-22-25(37)27(39)28(40)31(44-22)45-30-26(38)24-19(35)11-17(33)12-21(24)43-29(30)15-4-6-16(32)7-5-15/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3/b9-3+/t22-,25-,27+,28-,31+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=C(OC)C=4)=O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 23265189 > - > - > - > - > - > 33090 > - $$$$