LMPK12111891 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 7.5039 13.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 12.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 12.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 12.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 13.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 14.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 12.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9713 12.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9713 13.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 14.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 11.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0628 14.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9463 13.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8297 14.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8297 15.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9463 15.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0628 15.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 11.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0664 15.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8491 11.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9956 7.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5194 6.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9469 7.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4026 6.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4040 6.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8421 5.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7185 5.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1568 6.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7185 7.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8421 7.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0330 6.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9753 13.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4455 12.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3968 12.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8525 11.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8539 11.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2920 11.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1685 11.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6067 11.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1685 12.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2920 12.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4831 11.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8416 11.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6746 9.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5156 8.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6857 10.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2658 11.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2620 10.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6784 10.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0988 9.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 9.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5231 8.4937 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 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 4 3 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 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 52 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 6 0 0 48 21 1 1 0 0 49 44 1 6 0 0 50 45 1 6 0 0 51 46 1 1 0 0 34 44 1 0 0 0 0 46 22 1 0 0 0 0 M END > LMPK12111891 > Kaempferol 3-(2'',4''-di-(E)-p-coumarylrhamnoside) > > C39H32O14 > 724.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > KMOHJUXDKSMQOG-NCLAQALISA-N > InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+/t20-,34+,35-,38+,39-/m0/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](OC(/C=C/C4C=CC(O)=CC=4)=O)[C@H](O)[C@@H](OC(/C=C/C4C=CC(O)=CC=4)=O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 11765457 > - > - > - > - > - > 33090 > - $$$$