LMPR01070059 LIPID_MAPS_STRUCTURE_DATABASE 54 56 0 0 0 999 V2000 9.3246 9.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1969 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0689 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9411 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8133 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6855 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5576 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4297 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3020 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1742 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0463 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9184 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7907 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6628 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5351 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9921 12.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0689 12.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5576 12.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9184 9.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4072 9.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2714 9.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2714 8.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4072 7.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1357 7.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1357 6.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9999 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4595 9.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5942 9.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5942 8.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4595 7.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3246 8.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8574 11.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7155 12.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7155 13.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8574 13.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9921 13.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5977 10.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7189 11.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3211 10.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 11.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1969 9.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 11.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 8.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 7.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1304 11.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2689 11.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5771 13.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4415 13.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4415 12.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3057 13.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4072 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9921 14.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1304 13.5430 0.0000 O 0 0 0 0 0 0 0 0 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 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 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 3 17 1 0 0 0 0 7 18 1 0 0 0 0 12 19 1 0 0 0 0 27 1 1 0 0 0 0 27 28 1 0 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 1 1 0 0 0 0 32 16 1 0 0 0 0 32 33 1 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 16 36 1 0 0 0 0 27 37 1 0 0 0 0 32 38 1 0 0 0 0 27 39 1 0 0 0 0 32 40 1 0 0 0 0 29 41 1 1 0 0 0 2 42 1 0 0 0 0 43 2 2 0 0 0 0 1 44 1 0 0 0 0 31 44 1 0 0 0 0 1 42 1 1 0 0 0 31 45 1 1 0 0 0 16 46 2 0 0 0 0 46 47 2 0 0 0 0 34 48 1 1 0 0 0 47 52 1 0 0 0 0 15 52 2 0 0 0 0 20 52 1 0 0 0 0 36 53 1 1 0 0 0 36 54 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 M END > LMPR01070059 > 19'-Butanoyloxyfucoxanthin > > C46H64O8 > 744.46 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > NEKQVGDUHFTLGS-MFFPCINUSA-N > InChI=1S/C46H64O8/c1-12-17-41(50)52-31-36(24-25-40-42(6,7)28-38(53-35(5)47)29-44(40,10)51)23-16-21-33(3)19-14-13-18-32(2)20-15-22-34(4)39(49)30-46-43(8,9)26-37(48)27-45(46,11)54-46/h13-16,18-24,37-38,48,51H,12,17,26-31H2,1-11H3/b14-13+,20-15+,21-16+,32-18+,33-19+,34-22+,36-23-/t25?,37-,38-,44+,45+,46-/m0/s1 > [C@@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\COC(CCC)=O)/C=C=C3[C@@](O)(C)C[C@@H](OC(C)=O)CC3(C)C)O[C@]1(C)C[C@@H](O)CC2(C)C > - > - > - > - > - > - > 14160128 > VCA0057 > - > - > - > - > 6550; 2636333 > 3227741 $$$$