LMPR01071012 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 28.6688 -12.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9196 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7188 -14.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9848 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8838 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7329 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4310 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3301 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2291 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0782 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9272 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7763 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6254 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5244 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3735 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2725 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1216 -14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0206 -14.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1216 -15.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6254 -15.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8838 -13.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3301 -13.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6178 -14.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4679 -12.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1183 -11.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1194 -11.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8197 -12.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9696 -13.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3170 -11.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4169 -12.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5201 -10.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1357 -14.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5385 -14.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5385 -15.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3876 -16.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2367 -15.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2367 -14.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3876 -14.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8882 -13.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8871 -13.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1357 -16.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6395 -16.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3876 -17.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 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 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 14 21 1 0 0 0 5 22 1 0 0 0 9 23 1 0 0 0 19 2 2 0 0 0 3 24 2 0 0 0 1 3 1 6 0 0 1 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 1 28 1 0 0 0 1 29 1 1 0 0 25 30 1 0 0 0 25 31 1 0 0 0 27 32 1 1 0 0 4 33 2 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 34 39 1 0 0 0 38 33 1 0 0 0 39 40 1 0 0 0 39 41 1 0 0 0 37 42 1 0 0 0 35 43 1 1 0 0 36 44 1 1 0 0 M END > LMPR01071012 > Lilixanthin > (3S,4R,3'S,5'R)-3,4,3'-Trihydroxy-beta,kappa-caroten-6'-one > C40H56O4 > 600.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > Liliaxanthin > CLUNNEXDLNOYRX-DVURGGGQSA-N > InChI=1S/C40H56O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(44)35(42)27-38(34,6)7)15-11-12-16-29(2)18-14-20-31(4)22-24-36(43)40(10)26-33(41)25-39(40,8)9/h11-24,33,35,37,41-42,44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t33-,35-,37+,40-/m0/s1 > [C@@]1(C)(C[C@@H](O)CC1(C)C)C(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)(C)C[C@H](O)[C@H](O)C=1C > - > - > - > - > - > - > 134724340 > - > - > - > - > - > 79002 > - $$$$