LMPR01071027 LIPID_MAPS_STRUCTURE_DATABASE 46 47 0 0 0 999 V2000 22.1134 -11.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5165 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5165 -15.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 -15.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2308 -15.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2308 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 -13.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1383 -13.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8695 -12.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8779 -12.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 -15.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0964 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8106 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6677 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5248 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3821 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1468 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0040 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8611 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7181 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5753 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4325 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3401 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1972 -12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0544 -12.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1972 -13.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7181 -13.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 -11.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3821 -11.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 -15.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9258 -13.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9509 -10.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6977 -9.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7036 -9.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3425 -10.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1754 -9.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4094 -12.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8132 -10.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9127 -11.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -16.0294 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 -15.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -16.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -16.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8361 -10.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 5 11 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 22 29 1 0 0 0 13 30 1 0 0 0 17 31 1 0 0 0 8 12 3 0 0 0 3 32 1 1 0 0 27 33 2 0 0 0 1 27 1 6 0 0 1 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 1 37 1 0 0 0 36 38 1 1 0 0 1 39 1 1 0 0 34 40 1 0 0 0 34 41 1 0 0 0 32 42 1 0 0 0 42 43 2 0 0 0 42 44 2 0 0 0 42 45 1 0 0 0 30 46 1 0 0 0 M END > LMPR01071027 > Bastaxanthin C2 > 19,3'-dihydroxy-6'-oxo-7,8-didehydro-beta,kappa-caroten-3-yl sulphate > C38H52O7S > 652.34 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > ISUWWMWGOAXMCS-VMPJPWPLSA-N > InChI=1S/C38H52O7S/c1-27(16-12-18-29(3)35(41)38(9)24-32(40)23-37(38,7)8)14-10-11-15-28(2)17-13-19-31(26-39)20-21-34-30(4)22-33(25-36(34,5)6)45-46(42,43)44/h10-19,32-33,39-40H,22-26H2,1-9H3,(H,42,43,44)/b11-10+,16-12+,17-13+,27-14+,28-15+,29-18+,31-19-/t32-,33+,38-/m0/s1 > [C@@]1(C)(C[C@@H](O)CC1(C)C)C(=O)/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 > - $$$$