LMPR01071028 LIPID_MAPS_STRUCTURE_DATABASE 49 50 0 0 0 999 V2000 18.4744 -7.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7247 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5211 -8.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -10.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -11.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 -12.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -11.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -10.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 -10.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 -10.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 -9.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 -9.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 -12.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3961 -12.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7271 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5734 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4197 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3158 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1621 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0083 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8547 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5473 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3936 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2399 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1360 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9823 -9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8286 -9.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9823 -10.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5473 -10.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 -8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3158 -8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4000 -9.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2482 -7.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9095 -6.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9266 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6576 -7.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7788 -8.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -6.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1983 -7.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3310 -5.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 -7.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0997 -5.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2525 -12.5139 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 -11.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -13.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 -13.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 4 9 1 0 0 0 8 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 7 13 1 0 0 0 5 14 1 1 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 25 32 1 0 0 0 16 33 1 0 0 0 20 34 1 0 0 0 10 15 3 0 0 0 30 2 2 0 0 0 3 35 2 0 0 0 1 3 1 6 0 0 1 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 1 39 1 0 0 0 1 40 1 1 0 0 36 41 1 1 0 0 36 42 1 0 0 0 38 43 1 1 0 0 33 44 1 0 0 0 41 45 1 0 0 0 14 46 1 0 0 0 46 47 2 0 0 0 46 48 2 0 0 0 46 49 1 0 0 0 M END > LMPR01071028 > Bastaxanthin D > (3R,1'R,3'R,5'R)-19,3',17'-trihydroxy-6'-oxo-7,8-didehydro-beta,kappa-caroten-3-yl sulphate > C40H54O8S > 694.35 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > DSGSGIIMJDPFGB-QMWXEKJBSA-N > InChI=1S/C40H54O8S/c1-29(15-11-16-31(3)19-22-37(44)40(8)25-34(43)24-39(40,7)28-42)13-9-10-14-30(2)17-12-18-33(27-41)20-21-36-32(4)23-35(26-38(36,5)6)48-49(45,46)47/h9-19,22,34-35,41-43H,23-28H2,1-8H3,(H,45,46,47)/b10-9+,15-11+,17-12+,22-19+,29-13+,30-14+,31-16+,33-18-/t34-,35+,39-,40-/m0/s1 > [C@@]1(C)(C[C@@H](O)C[C@@]1(C)CO)C(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\CO)/C#CC1C(C)(C)C[C@H](OS(O)(=O)=O)CC=1C > - > - > - > - > - > - > - > - > - > - > - > - > 375146 > - $$$$