LMPR01070823 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 13.4159 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2730 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1301 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9872 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8444 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7519 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6090 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4661 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3232 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1802 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0374 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8945 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7517 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6591 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5163 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3734 -14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5330 -14.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3397 -13.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1968 -14.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0540 -13.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0540 -12.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1968 -12.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3397 -12.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6926 -14.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7010 -14.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5163 -16.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0374 -16.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2730 -13.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7519 -13.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5084 -14.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -16.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7438 -16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6010 -16.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6010 -15.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7438 -14.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2397 -13.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2480 -13.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4782 -12.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4794 -16.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9335 -12.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 -16.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4679 -15.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4059 -16.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 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 16 15 1 0 0 0 16 17 3 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 18 23 2 0 0 0 19 24 1 0 0 0 19 25 1 0 0 0 15 26 1 0 0 0 11 27 1 0 0 0 2 28 1 0 0 0 6 29 1 0 0 0 1 30 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 31 36 1 0 0 0 35 30 1 1 0 0 36 37 1 0 0 0 36 38 1 0 0 0 23 39 1 0 0 0 34 40 1 6 0 0 21 41 1 1 0 0 32 42 2 0 0 0 35 43 1 6 0 0 1 44 2 0 0 0 M END > LMPR01070823 > Isomytiloxanthin > (5R,6R,3'R)-6,3'-Dihydroxy-7',8'-didehydro-5,6,7,8-tetrahydro-beta,beta-carotene-3,8-dione > C40H54O4 > 598.40 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > BNDHJHDWBOVXQE-BDOHRGHCSA-N > InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,33-34,41,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34-,40-/m1/s1 > C(=O)(C[C@]1(O)C(C)(C)CC(=O)C[C@H]1C)/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 > - > - > - > - > - > - > 23428074 > - > - > - > - > - > 6550 > - $$$$