LMFA08020443 LIPID_MAPS_STRUCTURE_DATABASE 50 52 0 0 0 999 V2000 28.8414 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1777 -3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1826 -3.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6005 -4.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6669 -4.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8694 -5.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7880 -5.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0875 -3.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1071 -3.3704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9852 -4.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8905 -4.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4775 -5.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3883 -5.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8022 -3.6805 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 27.8370 -6.4184 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 26.0666 -5.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1116 -4.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2554 -4.3317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3817 -4.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5255 -4.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6519 -4.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7956 -4.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9221 -4.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0569 -4.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1919 -4.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1919 -5.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0569 -6.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9221 -5.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3268 -6.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4617 -5.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5967 -6.2538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7871 -6.2538 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.0569 -3.2571 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 13.7397 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7397 -4.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8707 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0014 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1321 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2627 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3934 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7853 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0942 -5.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 -4.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 5 7 2 0 0 0 1 5 1 0 0 0 4 6 1 0 0 0 2 3 1 0 0 0 1 2 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 4 8 1 0 0 0 11 4 1 0 0 0 5 12 1 0 0 0 12 13 1 0 0 0 1 14 1 0 0 0 7 15 1 0 0 0 11 16 1 6 0 0 10 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 23 2 0 0 0 26 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 28 32 1 0 0 0 24 33 1 0 0 0 4 3 1 1 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 31 34 1 0 0 0 0 17 49 2 0 0 0 47 50 1 0 0 0 M END > LMFA08020443 > Ceratinamide B > > C36H51N3O7Br4 > 953.05 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > > KPQUCGYIVZVWTG-QZCRLSDHSA-N > InChI=1S/C36H51Br4N3O7/c1-24(2)14-11-9-7-5-4-6-8-10-12-15-30(44)41-18-16-25-20-26(37)33(27(38)21-25)48-19-13-17-42-35(46)31-34(45)36(50-43-31)22-28(39)32(47-3)29(40)23-49-36/h20-21,23-24,34,45H,4-19,22H2,1-3H3,(H,41,44)(H,42,46)/t34-,36-/m1/s1 > C1(Br)=CO[C@]2([C@H](O)C(C(=O)NCCCOC3=C(Br)C=C(CCNC(CCCCCCCCCCCC(C)C)=O)C=C3Br)=NO2)CC(Br)=C1OC > - > - > - > - > - > - > 21597410 > - > - > - > - > - > 1162763 > 23215158 $$$$