LMFA08020359 LIPID_MAPS_STRUCTURE_DATABASE 36 38 0 0 0 999 V2000 5.7200 -5.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6085 -6.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6085 -7.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 -7.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -7.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -6.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -5.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 -4.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 -4.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4971 -7.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 -7.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 -7.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1627 -7.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -7.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9399 -7.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8283 -7.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7169 -7.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6054 -7.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7169 -6.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2237 -5.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2855 -6.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0845 -6.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9663 -5.5057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0845 -7.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1961 -5.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3074 -6.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4187 -5.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -5.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9869 -5.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4885 -4.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4917 -4.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9932 -3.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9962 -3.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4979 -4.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9963 -5.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9931 -5.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 1 1 0 0 0 3 10 1 6 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 1 20 1 6 0 0 6 21 1 1 0 0 23 22 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 31 2 0 0 0 2 28 1 1 0 0 0 23 29 1 0 0 0 M END > LMFA08020359 > 4Z-Aplidic acid B > (5E,7E)-8-[(3aR,4R,5R,7aS)-4-[(1Z,3E)-5-oxo-5-(2-phenylethylamino)penta-1,3-dienyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]octa-5,7-dienoic acid > C30H37NO3 > 459.28 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > > QRWPHMHMPOYWGH-YXYXFWDSSA-N > InChI=1S/C30H37NO3/c32-29(31-23-22-24-12-5-4-6-13-24)18-10-9-16-27-25(20-21-26-15-11-17-28(26)27)14-7-2-1-3-8-19-30(33)34/h1-2,4-7,9-10,12-14,16,18,20-21,25-28H,3,8,11,15,17,19,22-23H2,(H,31,32)(H,33,34)/b2-1+,14-7+,16-9-,18-10+/t25-,26+,27+,28-/m1/s1 > [C@@]12([H])CCC[C@@]1([H])C=C[C@@H](/C=C/C=C/CCCC(=O)O)[C@@H]2/C=C\C=C\C(=O)NCCC1=CC=CC=C1 > - > - > - > NA 30:12;O2 > - > - > 163005508 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Dicarboxylic acids [FA0117]; Unsaturated fatty acids [FA0103]; Carbocyclic fatty acids [FA0114] > -; -; - > 2621823 > 19783438 $$$$