LMPR0104010050 LIPID_MAPS_STRUCTURE_DATABASE 49 48 0 0 0 0 0 0 0 0999 V2000 19.2638 -7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1972 -8.3528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3006 -6.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4215 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5786 -7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7357 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8930 -7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0504 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2075 -7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3647 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5220 -7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8364 -7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1510 -7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 -7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5786 -6.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2067 -6.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8364 -6.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4288 -6.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0936 -7.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9044 -8.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8008 -8.0824 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.6116 -8.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8865 -7.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7151 -9.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8682 -6.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6006 -7.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9674 -6.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8245 -5.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8245 -4.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4317 -5.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5660 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7199 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4677 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1023 -5.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 -6.2909 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 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 > LMPR0104010050 > Copepodamide F > 5-(octadeca-6Z,9Z,12Z,15Z-tetraenoyl)oxy-15-hydroxy-7R,11S,15-trimethyl-3-methylidene-hexadecanoylaminoethanesulfonic acid > C40H69NO7S > 707.48 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Acyclic diterpenoids [PR010401] > > CPQSGEHAHMJVAY-JBQHSTEYSA-N > InChI=1S/C40H69NO7S/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/h8-9,11-12,14-15,17-18,34-35,37,44H,4,7,10,13,16,19-33H2,1-3,5-6H3,(H,41,42)(H,45,46,47)/b9-8-,12-11-,15-14-,18-17-/t34-,35+,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 > - > - > - > - > - > - > 122374820 > - > - > - > - > - > 463189 > 25918403 $$$$