LMPR01070720 LIPID_MAPS_STRUCTURE_DATABASE 43 45 0 0 0 999 V2000 -8.9861 -11.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9861 -12.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1286 -13.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2709 -12.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2709 -11.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1286 -11.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6238 -10.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6334 -10.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4001 -13.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8437 -13.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4389 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5814 -11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7237 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 -11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5643 -11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 -11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9949 -11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8524 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 -11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -11.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4205 -11.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6102 -10.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4512 -10.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2932 -10.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -10.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -9.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3088 -8.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4513 -9.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7981 -11.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7885 -11.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 -8.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -12.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -12.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5814 -10.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -10.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0057 -8.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2908 -11.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -12.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 4 9 1 6 0 0 2 10 1 1 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 3 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 28 33 2 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 33 36 1 0 0 0 25 37 1 0 0 0 21 38 1 0 0 0 12 39 1 0 0 0 16 40 1 0 0 0 31 41 1 1 0 0 11 42 2 0 0 0 5 42 1 6 0 0 5 43 1 1 0 0 4 43 1 1 0 0 M END > LMPR01070720 > Diadinoxanthin B > (3S,5S,6R,3'R)-5,6-Epoxy-7',8'-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol > C40H54O3 > 582.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > OGHZCSINIMWCSB-YQCDSXSPSA-N > InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40-/m1/s1 > C1C(C)(C)[C@]2(O[C@@]2(C)C[C@H]1O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC1=C(C)C[C@@H](O)CC1(C)C > - > - > - > - > - > - > 102007228 > - > - > - > - > - > 933223 > 10924174 $$$$