LMPR01071014 LIPID_MAPS_STRUCTURE_DATABASE 45 46 0 0 0 999 V2000 29.6136 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4227 -14.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4227 -13.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0684 -15.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0684 -16.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9279 -17.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7874 -16.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7874 -15.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9279 -15.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6977 -15.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4222 -14.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4336 -14.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6977 -17.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2089 -17.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7089 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5684 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4280 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2876 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1471 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0572 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9168 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7764 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6358 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4956 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3551 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2146 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0742 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9843 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8438 -14.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7035 -14.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8438 -15.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3551 -15.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5684 -13.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0572 -13.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2405 -12.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9282 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9173 -11.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6048 -12.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3283 -10.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1058 -13.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1058 -12.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3070 -14.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7161 -13.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4258 -12.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9709 -12.6597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 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 4 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 7 13 1 0 0 0 0 5 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 25 32 1 0 0 0 0 16 33 1 0 0 0 0 20 34 1 0 0 0 0 10 15 3 0 0 0 0 30 1 2 0 0 0 0 3 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 3 38 1 0 0 0 0 37 39 2 0 0 0 0 35 40 1 6 0 0 0 35 41 1 1 0 0 0 2 42 2 0 0 0 0 3 43 1 1 0 0 0 33 44 1 0 0 0 0 41 45 2 0 0 0 0 M END > LMPR01071014 > Bastaxanthol B > (3R,1'R,5'R)-3,19-Dihydroxy-3',6'-dioxo-7,8-didehydro-beta,kappa-caroten-17'-al > C40H50O5 > 610.37 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > FHUDTEAFSDROQF-JUSQSBOQSA-N > InChI=1S/C40H50O5/c1-29(15-11-16-31(3)19-22-37(45)40(8)26-35(44)25-39(40,7)28-42)13-9-10-14-30(2)17-12-18-33(27-41)20-21-36-32(4)23-34(43)24-38(36,5)6/h9-19,22,28,34,41,43H,23-27H2,1-8H3/b10-9+,15-11+,17-12+,22-19+,29-13+,30-14+,31-16+,33-18-/t34-,39+,40+/m1/s1 > 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](O)CC=1C)\C(=O)[C@]1(C)CC(=O)C[C@]1(C=O)C > - > - > - > - > - > - > 163057428 > - > - > - > - > - > 375146 > - $$$$