LMPK12111699 LIPID_MAPS_STRUCTURE_DATABASE 84 91 0 0 0 999 V2000 -5.9408 18.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9408 17.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 17.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 17.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 18.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 19.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 17.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 17.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 18.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 19.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 16.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 19.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 18.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 19.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 20.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 20.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 20.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 16.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5481 20.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7682 19.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 16.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 11.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 10.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 11.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 10.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0489 10.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 11.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 11.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 10.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 9.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 9.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1257 10.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6886 16.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 15.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 15.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8743 14.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8143 14.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3549 13.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8682 14.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3549 15.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3278 15.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8953 14.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8682 16.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0998 12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0998 8.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 12.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 8.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8953 12.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8953 16.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2852 15.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 13.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 12.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 15.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2471 13.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 15.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 15.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 14.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 13.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 14.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3397 14.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 16.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7408 16.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 14.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 14.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 15.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 15.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 15.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 14.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 13.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 12.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8718 14.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1475 12.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4489 10.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1873 12.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 13.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 13.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 12.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8114 11.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8248 11.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4754 10.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8682 12.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3278 13.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 12.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 9.9056 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 4 3 1 0 0 0 0 1 20 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 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 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 37 1 0 0 0 0 39 42 1 0 0 0 0 30 45 1 0 0 0 0 28 44 1 0 0 0 0 40 43 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 43 49 1 0 0 0 0 54 60 1 0 0 0 59 53 1 0 0 0 53 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 1 0 0 56 50 1 6 0 0 57 51 1 1 0 0 58 52 1 1 0 0 69 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 1 0 0 65 50 1 1 0 0 66 61 1 6 0 0 67 62 1 1 0 0 68 63 1 6 0 0 79 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 1 0 0 75 63 1 1 0 0 76 71 1 6 0 0 77 72 1 1 0 0 78 73 1 6 0 0 81 48 1 0 0 0 0 38 81 1 0 0 0 0 82 38 1 0 0 0 0 37 82 2 0 0 0 0 34 71 1 0 0 0 0 55 21 1 1 0 0 70 83 1 0 0 0 80 84 1 0 0 0 83 22 1 0 0 0 0 M END > LMPK12111699 > Kaempferol 3-(2''''-sinapylglucosyl)(1->4)(6'''-sinapylglucosyl)(1->2)-galactoside > > C55H60O29 > 1184.32 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ZPWIQRPHNUHHCS-SVZWVUKJSA-N > InChI=1S/C55H60O29/c1-72-29-13-22(14-30(73-2)39(29)63)5-11-36(61)76-21-35-49(82-54-51(44(68)41(65)33(19-56)78-54)81-37(62)12-6-23-15-31(74-3)40(64)32(16-23)75-4)46(70)47(71)53(80-35)84-52-45(69)42(66)34(20-57)79-55(52)83-50-43(67)38-27(60)17-26(59)18-28(38)77-48(50)24-7-9-25(58)10-8-24/h5-18,33-35,41-42,44-47,49,51-60,63-66,68-71H,19-21H2,1-4H3/b11-5+,12-6+/t33-,34-,35-,41-,42+,44+,45+,46-,47-,49-,51-,52-,53+,54+,55+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](OC(/C=C/C6=CC(OC)=C(O)C(OC)=C6)=O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](COC(/C=C/C5C=C(OC)C(O)=C(OC)C=5)=O)O4)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44258771 > - > - > - > - > - > 33090 > - $$$$