LMPR01070347 LIPID_MAPS_STRUCTURE_DATABASE 83 85 0 0 0 999 V2000 -12.9839 -3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1126 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2416 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3706 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4996 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6284 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7576 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8864 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0155 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2732 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2416 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7576 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8477 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7118 -3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7118 -4.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8477 -4.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9839 -4.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 -1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5724 -4.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1126 -2.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9732 -1.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1233 -3.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1233 -4.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 -1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 -1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2349 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4400 -4.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4400 -3.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3077 -4.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1034 0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9719 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8403 0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1034 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7086 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7086 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8403 2.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9719 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1034 2.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2349 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3077 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4391 -6.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5707 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 -1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 -1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5552 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1404 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3687 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5707 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7047 -6.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8386 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8386 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9726 -6.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1066 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1066 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2406 -6.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3745 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3745 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5085 -6.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 -6.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 -5.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 3 17 1 0 0 0 7 18 1 0 0 0 12 19 1 0 0 0 21 1 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 1 1 0 0 0 26 16 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 16 30 1 0 0 0 23 31 1 1 0 0 2 32 1 0 0 0 33 2 2 0 0 0 1 34 1 6 0 0 25 34 1 6 0 0 1 32 1 1 0 0 25 35 1 1 0 0 16 36 2 0 0 0 36 37 2 0 0 0 28 38 1 1 0 0 15 39 2 0 0 0 20 39 1 0 0 0 30 40 1 1 0 0 30 41 1 6 0 0 31 42 1 0 0 0 42 43 2 0 0 0 42 44 1 0 0 0 38 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 45 48 2 0 0 0 47 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 44 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 37 39 1 1 0 0 26 58 1 6 0 0 26 59 1 1 0 0 21 60 1 1 0 0 21 61 1 6 0 0 54 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 57 69 2 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 2 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 2 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 2 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 2 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 M END > LMPR01070347 > Fucoxanthinol 3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) 3'-palmitate > Fucoxanthinol 3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) 3'-(9Z-octadecenoate) > C76H114O7 > 1138.86 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 16:0FOH20:5 > FBWIOCMQQUCSSM-KHVONDBLSA-N > InChI=1S/C76H114O7/c1-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-54-71(79)82-67-58-73(9,10)76(75(12,60-67)83-76)61-68(77)65(6)52-46-51-63(4)48-44-43-47-62(3)49-45-50-64(5)55-56-69-72(7,8)57-66(59-74(69,11)80)81-70(78)53-41-39-37-35-33-31-26-24-22-20-18-16-14-2/h15,17,21,23,27-28,30,32,36,38,43-52,55,66-67,80H,13-14,16,18-20,22,24-26,29,31,33-35,37,39-42,53-54,57-61H2,1-12H3/b17-15-,23-21-,28-27-,32-30-,38-36-,44-43+,49-45+,51-46+,62-47+,63-48+,64-50+,65-52+/t56-,66-,67-,74+,75+,76-/m0/s1 > [C@@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=[C@@]=C3[C@@](O)(C)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)C[C@]3(C)C)\C)O[C@]1(C)C[C@@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)C[C@@]2(C)C > - > - > - > - > - > - > 171121496 > - > - > - > - > - > 427924 > 28750733 $$$$