LMPR01070066 LIPID_MAPS_STRUCTURE_DATABASE 45 46 0 0 0 0 0 0 0 0999 V2000 10.5188 7.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2232 7.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7975 7.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9444 7.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6488 7.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3701 7.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 7.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7957 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5001 7.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2214 7.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9257 7.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6470 7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 8.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6319 8.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2382 6.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3514 7.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0726 7.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7770 7.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0895 6.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0932 7.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3718 7.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6675 7.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9462 7.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 7.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2588 6.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9801 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 6.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3431 8.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 8.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4057 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 7.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2027 8.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9239 7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0267 6.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8354 6.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2323 7.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6689 7.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3187 8.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2693 8.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9672 8.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 6.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7601 8.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1857 8.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2616 5.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 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 3 13 1 0 0 0 0 5 14 1 0 0 0 0 10 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 3 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 25 41 1 1 0 0 0 27 30 1 0 0 0 0 26 42 2 0 0 0 0 18 31 2 0 0 0 0 31 32 1 0 0 0 0 18 43 1 0 0 0 0 32 44 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 33 37 1 0 0 0 0 33 32 1 6 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 35 45 1 1 0 0 0 33 40 1 1 0 0 0 12 16 1 0 0 0 0 M END > LMPR01070066 > 4-Oxomytiloxanthin > > C40H52O5 > 612.38 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > PBOUPDPWSRTITJ-PLFYQAFXSA-N > InChI=1S/C40H52O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-20,23,32,35,41-43H,24-26H2,1-10H3/b12-11+,17-13+,19-14+,27-15+,28-16+,29-18+,30-20+,34-23-/t32-,35+,40-/m1/s1 > C(=C(/C#CC1=C(C)C(=O)[C@@H](O)CC1(C)C)\C)\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C(\O)=C\C([C@]1(C)C(C)(C)C[C@@H](O)C1)=O > - > - > 166685 > - > - > - > 16061213 > VCA0064 > - > - > - > - > 7604 > - $$$$