LMPR0104010046 LIPID_MAPS_STRUCTURE_DATABASE 53 52 0 0 0 0 0 0 0 0999 V2000 21.1329 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0673 -8.3543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1697 -6.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2897 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4459 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6022 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7586 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9151 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0713 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2276 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3840 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5404 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6966 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8532 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0094 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1658 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3222 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4785 -8.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4459 -6.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0705 -6.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6966 -6.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2854 -6.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9646 -7.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7763 -8.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6737 -8.0836 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.4853 -8.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7594 -7.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5879 -9.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7338 -6.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4564 -7.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1155 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9733 -5.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8310 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6889 -5.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6889 -4.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1251 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2675 -5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4097 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 -5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7038 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7134 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8557 -5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0076 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 -5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5863 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 -5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1195 -6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 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 5 19 2 0 0 0 9 20 1 1 0 0 13 21 1 1 0 0 17 22 1 0 0 0 2 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 25 28 2 0 0 0 7 29 1 0 0 0 17 30 1 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 34 35 2 0 0 0 0 31 36 2 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 38 39 2 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 41 42 2 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 44 45 2 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 47 48 2 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 50 51 2 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 34 29 1 0 0 0 M END > LMPR0104010046 > Copepodamide D > 5-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-15-hydroxy-7R,11S,15-trimethyl-3-methylidene-hexadecanoylaminoethanesulfonic acid > C44H73NO7S > 759.51 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Acyclic diterpenoids [PR010401] > > BBYGGWZGGJFOAN-HMRBPNQDSA-N > InChI=1S/C44H73NO7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31-43(47)52-41(36-40(4)37-42(46)45-33-34-53(49,50)51)35-39(3)29-26-28-38(2)30-27-32-44(5,6)48/h8-9,11-12,14-15,17-18,20-21,23-24,38-39,41,48H,4,7,10,13,16,19,22,25-37H2,1-3,5-6H3,(H,45,46)(H,49,50,51)/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t38-,39+,41?/m0/s1 > C(CC(=C)CC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](C)CCC[C@H](C)CCCC(O)(C)C)(=O)NCCS(=O)(=O)O > - > - > - > - > - > - > 122374812 > - > - > - > - > - > 463189 > 25918403 $$$$