LMPR01070846 LIPID_MAPS_STRUCTURE_DATABASE 55 57 0 0 0 999 V2000 12.4140 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2711 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1282 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9852 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8421 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7495 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6065 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4634 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3204 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1773 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0344 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8914 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7484 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6558 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5128 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3698 -15.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5292 -15.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3359 -14.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1928 -15.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0498 -14.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0498 -13.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1928 -13.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3359 -13.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6887 -16.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6969 -16.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5128 -17.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0344 -17.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2711 -14.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7495 -14.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9068 -13.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5066 -15.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8855 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8855 -17.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 -17.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 -17.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 -16.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 -15.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2383 -15.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2465 -15.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0284 -17.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4744 -13.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 -17.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4665 -16.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3359 -12.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1146 -18.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6338 -17.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3856 -17.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7921 -18.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9258 -17.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0594 -18.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1931 -17.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3374 -18.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7679 -13.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6289 -13.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7679 -14.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 1 0 0 0 16 17 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 15 26 1 0 0 0 0 11 27 1 0 0 0 0 2 28 1 0 0 0 0 6 29 1 0 0 0 0 21 30 1 1 0 0 0 1 31 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 36 37 1 0 0 0 0 32 37 1 0 0 0 0 36 31 1 1 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 33 40 1 1 0 0 0 23 41 1 6 0 0 0 1 42 2 0 0 0 0 36 43 1 6 0 0 0 35 43 1 6 0 0 0 23 44 1 1 0 0 0 35 45 1 1 0 0 0 26 46 1 0 0 0 0 26 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 30 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 M END > LMPR01070846 > 19'-Hydroxyfucoxanthin (19'-butanoate) > 19'-Butanoyloxy-5,6-epoxy-3'-ethanoyloxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one > C47H66O8 > 758.48 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > DFDLUTSJZKPDMG-YQRBBONJSA-N > InChI=1S/C47H66O8/c1-12-13-16-27-53-42(51)37(25-26-41-43(6,7)30-39(54-36(5)48)31-45(41,10)52)24-18-22-34(3)20-15-14-19-33(2)21-17-23-35(4)40(50)32-47-44(8,9)28-38(49)29-46(47,11)55-47/h14-15,17-25,38-39,49,52H,12-13,16,27-32H2,1-11H3/b15-14+,21-17+,22-18+,33-19+,34-20+,35-23+,37-24-/t26-,38-,39-,45+,46+,47-/m0/s1 > C(=O)(C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C(=O)OCCCCC)/C=[C@@]=C1[C@](C)(O)C[C@@H](OC(=O)C)CC1(C)C > - > - > - > - > - > - > 163057359 > - > - > - > - > - > 2636333 > - $$$$