LMFA08020185 LIPID_MAPS_STRUCTURE_DATABASE 40 42 0 0 0 999 V2000 14.1246 -2.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8920 -0.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 -4.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 -2.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 3.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 2.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8921 2.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6601 -3.5205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3922 1.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2580 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2580 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 -1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5261 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5261 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8921 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3921 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 -4.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -4.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8659 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8921 1.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 -4.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8921 1.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 4.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6898 3.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 2.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 3.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8977 2.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3921 1.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 11 1 1 6 0 0 0 12 2 1 6 0 0 0 3 13 2 0 0 0 0 4 18 2 0 0 0 0 5 38 1 0 0 0 0 6 39 2 0 0 0 0 7 40 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 37 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 6 0 0 0 22 31 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 26 28 2 0 0 0 0 26 32 1 0 0 0 0 27 30 1 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 34 40 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 M END > LMFA08020185 > manumycin > (2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyl-deca-2,4-dienamide > C31H38N2O7 > 550.27 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > Manumycin A; Ucfi-C; AC1O5PHE > TWWQHCKLTXDWBD-MVTGTTCWSA-N > InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31+/m1/s1 > O1[C@@H]2C(C(=C[C@@](/C=C/C=C/C=C/C(NC3C(CCC=3O)=O)=O)([C@H]12)O)NC(/C(/C)=C/C(/C)=C/[C@H](C)CCCC)=O)=O > C12111 > - > 29623 > - > 10010497 > - > 6438330 > - > Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Epoxy fatty acids [FA0107] > -; -; -; -; - > 2033434 > 9031666 $$$$