LMFA08020390 LIPID_MAPS_STRUCTURE_DATABASE 56 58 0 0 0 999 V2000 -0.4425 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4425 -0.7665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4425 0.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0102 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7943 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6864 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5784 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4704 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3624 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2544 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1465 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0385 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9306 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8226 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7145 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6066 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4986 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3907 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2827 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1747 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0667 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.9587 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8508 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.7428 -0.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3624 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3341 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2118 -2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4222 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7006 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9788 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.7570 -2.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.4976 -3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.2187 -2.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.4764 -0.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.9719 -0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.6104 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.6175 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.4906 -2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.3510 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.3439 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.2045 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.2866 0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0406 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0406 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 1.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 -0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 13 29 2 0 0 0 4 30 1 1 0 0 30 31 1 0 0 0 15 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 14 1 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 28 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 45 46 2 0 0 0 2 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 2 0 0 0 51 52 1 0 0 0 52 53 2 0 0 0 53 54 1 0 0 0 54 49 2 0 0 0 52 55 1 0 0 0 53 56 1 0 0 0 M END > LMFA08020390 > Toporoside A > > C43H65NO12 > 787.45 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > > HNKMCKNZLZWUMA-XVRDXBJXSA-N > InChI=1S/C43H65NO12/c1-54-36(41(51)44-27-26-30-24-25-34(46)35(47)29-30)23-16-12-8-7-11-15-22-33(45)32-21-18-20-31(32)19-14-10-6-4-2-3-5-9-13-17-28-55-43-39(50)37(48)38(49)40(56-43)42(52)53/h6,8,10,12,24-25,29,36-40,43,46-50H,2-5,7,9,11,13-23,26-28H2,1H3,(H,44,51)(H,52,53)/b10-6-,12-8-/t36-,37-,38-,39+,40-,43+/m0/s1 > C([C@@H](OC)CC/C=C\CCCCC(=O)C1CCCC=1CC/C=C\CCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)(=O)NCCC1=CC(O)=C(O)C=C1 > - > - > - > - > - > - > 168284504 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Methoxy fatty acids [FA0108]; Unsaturated fatty acids [FA0103] > -; -; -; - > 118318 > 35377646 $$$$