LMPR01070045 LIPID_MAPS_STRUCTURE_DATABASE 43 44 0 0 0 999 V2000 7.6172 8.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6047 7.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 7.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3490 8.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4893 9.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 10.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0001 10.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1964 7.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 9.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0809 8.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 9.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8128 8.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6850 9.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5448 8.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4169 9.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2766 8.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1487 9.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0085 8.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8806 9.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7405 8.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6126 9.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4724 8.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3446 9.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2043 8.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0765 9.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9362 8.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8085 9.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9654 10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4292 10.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7281 7.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1920 7.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6682 8.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5403 9.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5527 10.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6929 10.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8208 10.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1574 7.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1573 7.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9611 10.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4521 6.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4248 10.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 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 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 5 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 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 28 27 1 6 0 0 0 12 29 1 0 0 0 0 16 30 1 0 0 0 0 21 31 1 0 0 0 0 25 32 1 0 0 0 0 28 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 2 0 0 0 0 28 37 1 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 37 40 1 0 0 0 0 2 41 1 1 0 0 0 3 42 2 0 0 0 0 35 43 1 1 0 0 0 M END > LMPR01070045 > 4-Ketolutein D > (3S,3'S,6'S)-3,3'-Dihydroxy-beta,epsilon-caroten-4-one > C40H54O3 > 582.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > JKMGDISLOMKFOX-FGJUYLIASA-N > InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37+/m1/s1 > C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=C[C@@H](O)CC2(C)C)=C(C)C(=O)[C@H]1O > - > - > - > - > - > - > 16061206 > VCA0043 > - > - > - > - > 270562 > - $$$$