LMPK12111796 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 7.4872 16.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4872 15.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3351 14.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1832 15.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1832 16.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3351 16.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0311 14.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8791 15.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8791 16.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0311 16.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0311 13.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9467 16.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 16.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6753 16.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6753 17.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 18.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9467 17.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3351 13.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4206 18.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 16.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9017 14.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8063 11.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3544 10.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7161 11.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 10.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 10.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 10.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 10.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 10.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 9.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 9.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4968 10.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3818 11.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8239 12.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 13.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3819 13.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8254 12.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7128 12.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1563 13.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7128 14.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8254 14.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0429 13.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8725 12.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4796 13.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7096 13.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8698 11.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2245 10.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1579 12.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9830 13.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8869 13.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9659 12.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1433 11.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2394 11.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 11.3236 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 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 22 33 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 34 43 1 0 0 0 0 43 44 2 0 0 0 0 4 3 1 0 0 0 0 53 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 0 0 0 53 54 1 1 0 0 49 21 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 6 0 0 46 43 1 0 0 0 0 33 54 1 0 0 0 M END > LMPK12111796 > Kaempferol 3-(3'',6''-di-p-coumarylglucoside) > > C39H32O15 > 740.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NFSCOXCDAAETPI-WSLAOOLZSA-N > InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+/t29-,33-,35-,37+,39+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](OC(=O)/C=C/C4C=CC(O)=CC=4)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 10032927 > - > - > - > - > - > 33090 > - $$$$