LMPR0104010049 LIPID_MAPS_STRUCTURE_DATABASE 49 48 0 0 0 0 0 0 0 0999 V2000 20.1899 -6.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1241 -7.2740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 -5.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3469 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5032 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6596 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8162 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9729 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1292 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4423 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5988 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7552 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0684 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5379 -7.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5032 -5.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1284 -5.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7552 -5.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3447 -5.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0213 -6.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8328 -7.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7300 -7.0034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.5415 -7.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8157 -6.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6442 -7.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7914 -5.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 -6.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8889 -5.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7468 -4.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7468 -3.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3510 -4.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4846 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4944 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6369 -4.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7794 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7892 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9317 -4.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 -4.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -4.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0231 -4.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1573 -5.2103 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 1 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 32 33 2 0 0 0 0 35 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 32 29 1 0 0 0 31 48 1 0 0 0 48 49 1 0 0 0 34 49 1 0 0 0 0 35 34 1 0 0 0 0 M END > LMPR0104010049 > Copepodamide C > 5-(octadeca-6Z,9Z,12Z,15Z-tetraenoyl)oxy-15-hydroxy-3,7R,11S,15-tetramethyl-hexadecanoylaminoethanesulfonic acid > C40H71NO7S > 709.50 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Acyclic diterpenoids [PR010401] > > YVOJFKRKNYYIQH-FJYLMUQKSA-N > InChI=1S/C40H71NO7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-39(43)48-37(32-36(4)33-38(42)41-29-30-49(45,46)47)31-35(3)25-22-24-34(2)26-23-28-40(5,6)44/h8-9,11-12,14-15,17-18,34-37,44H,7,10,13,16,19-33H2,1-6H3,(H,41,42)(H,45,46,47)/b9-8-,12-11-,15-14-,18-17-/t34-,35+,36?,37?/m0/s1 > C(CC(C)CC(OC(=O)CCCC/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 > - > - > - > - > - > - > 122374810 > - > - > - > - > - > 463189 > 25918403 $$$$