LMPK12111795 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 7.4932 16.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4932 15.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 14.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 15.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 16.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 16.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 14.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9127 15.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9127 16.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 16.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 14.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9893 17.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 16.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7319 17.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7319 18.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 18.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9893 18.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 13.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 18.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 16.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9051 14.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 11.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 10.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1007 11.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5511 10.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 10.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0827 11.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 11.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 10.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 9.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0827 9.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 10.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7799 12.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3468 13.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3309 14.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0957 15.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0017 14.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0168 13.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7739 13.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5161 13.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5007 14.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7437 15.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2720 13.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9601 13.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5364 13.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3477 11.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 10.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9006 13.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8123 13.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6279 13.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 12.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6236 11.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8080 12.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8996 11.8149 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 4 3 1 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 34 44 2 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 45 34 1 0 0 0 0 54 33 1 0 0 0 M END > LMPK12111795 > Kaempferol 3-(2''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside) > > C39H32O15 > 740.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YXXQUJGFZPLXJV-TXPPTBEJSA-N > InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)35(49)38(53-31(46)16-6-21-3-11-24(41)12-4-21)39(52-29)54-37-34(48)32-27(44)17-26(43)18-28(32)51-36(37)22-7-13-25(42)14-8-22/h1-18,29,33,35,38-44,47,49H,19H2/b15-5+,16-6-/t29-,33-,35+,38-,39+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](OC(=O)/C=C\C4C=CC(O)=CC=4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 10439992 > - > - > - > - > - > 33090 > - $$$$