LMPR01070975 LIPID_MAPS_STRUCTURE_DATABASE 42 43 0 0 0 999 V2000 2.2781 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 -12.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 -12.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -12.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7631 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6297 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4966 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3634 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0966 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9635 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8302 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6970 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5637 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4305 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2971 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1639 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0305 -10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8974 -11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 -9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8916 -12.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7594 -10.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6115 -11.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4615 -10.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3125 -11.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1793 -10.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1795 -9.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3283 -9.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4616 -9.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8974 -12.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4305 -12.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6297 -9.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0966 -9.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6023 -9.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0664 -9.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8128 -11.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8121 -11.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 -12.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 4 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 28 27 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 28 33 1 0 0 0 0 22 34 1 0 0 0 0 18 35 1 0 0 0 0 9 36 1 0 0 0 0 13 37 1 0 0 0 0 33 38 1 0 0 0 0 31 39 1 6 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 2 42 2 0 0 0 0 M END > LMPR01070975 > (6R,3'R,6'S)-3-Dehydrolactucaxanthin > (6R,3'R,6'S)-3'-Hydroxy-epsilon,epsilon-caroten-3-one > C40H54O2 > 566.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > OTHWKRBAHPOBSP-SDSFZSISSA-N > InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,37+,38-/m0/s1 > C1C(C)(C)[C@@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=C[C@H](O)CC2(C)C)C(C)=CC1=O > - > - > - > - > - > - > 163057421 > - > - > - > - > - > 8241 > - $$$$