LMPR01070316 LIPID_MAPS_STRUCTURE_DATABASE 66 68 0 0 0 999 V2000 -13.3055 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4368 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5681 1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6995 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8307 1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9621 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0936 1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2248 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3563 1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4877 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6187 1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7502 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1443 1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 2.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5681 2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0936 2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7502 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2757 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1670 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0288 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0288 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1670 -1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3055 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 2.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 3.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 4.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 3.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0253 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 1.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3089 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 1.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8871 -1.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4368 0.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2949 1.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4474 -0.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4474 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 1.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0287 4.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2757 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 4.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 4.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.7523 -1.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7523 -0.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6175 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6175 -2.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7523 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8871 -2.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0218 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1559 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2899 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4240 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5579 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6920 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6920 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9601 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2281 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3621 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4961 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -2.8814 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 21 31 1 0 0 0 26 32 1 0 0 0 21 33 1 0 0 0 26 34 1 0 0 0 23 35 1 1 0 0 2 36 1 0 0 0 37 2 2 0 0 0 1 38 1 6 0 0 25 38 1 6 0 0 1 36 1 1 0 0 25 39 1 1 0 0 16 40 2 0 0 0 40 41 2 0 0 0 28 42 1 1 0 0 41 43 1 1 0 0 15 43 2 0 0 0 20 43 1 0 0 0 30 44 1 1 0 0 30 45 1 6 0 0 35 46 1 0 0 0 46 47 2 0 0 0 46 48 1 0 0 0 48 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 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 2 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 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 M END > LMPR01070316 > Fucoxanthinol 3-gondoate > Fucoxanthinol 3-(11Z)-eicosenoate > C60H92O6 > 908.69 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > FOH-3-C20:1; FOH20:1 > GLJPGHMJGPCDKL-BTXUGPNBSA-N > InChI=1S/C60H92O6/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-39-55(63)65-52-44-57(8,9)60(59(11,45-52)66-60)46-53(62)50(5)38-32-37-48(3)34-30-29-33-47(2)35-31-36-49(4)40-41-54-56(6,7)42-51(61)43-58(54,10)64/h19-20,29-38,40,51-52,61,64H,12-18,21-28,39,42-46H2,1-11H3/b20-19-,30-29+,35-31+,37-32+,47-33+,48-34+,49-36+,50-38+/t41-,51-,52-,58+,59+,60-/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=[C@@]=C3[C@@](O)(C)C[C@@H](O)CC3(C)C)O[C@]1(C)C[C@@H](OC(CCCCCCCCC/C=C\CCCCCCCC)=O)CC2(C)C > - > - > - > - > - > - > 171121471 > - > - > - > - > - > 427924 > 28750733 $$$$