LMPR01070974 LIPID_MAPS_STRUCTURE_DATABASE 42 43 0 0 0 999 V2000 2.7782 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 -10.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 -10.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 -10.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3964 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9966 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8635 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5968 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4636 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3303 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1971 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0638 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9306 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7973 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6641 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5308 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3976 -9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 -7.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 -7.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3918 -10.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2596 -8.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1118 -9.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9618 -8.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8128 -9.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6796 -8.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6797 -7.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8286 -7.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9619 -7.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3976 -10.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9306 -10.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 -7.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5968 -7.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1026 -7.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5667 -7.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3131 -9.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3125 -9.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9118 -10.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 6 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 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 6 23 1 0 0 0 6 24 1 0 0 0 4 25 1 0 0 0 22 26 1 0 0 0 26 27 2 0 0 0 28 27 1 6 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 28 33 1 0 0 0 22 34 1 0 0 0 18 35 1 0 0 0 9 36 1 0 0 0 13 37 1 0 0 0 33 38 1 0 0 0 31 39 1 1 0 0 29 40 1 0 0 0 29 41 1 0 0 0 2 42 2 0 0 0 M END > LMPR01070974 > (6S,3'S,6'S)-3'-Hydroxy-epsilon-caroten-3-one > (6S,3'S,6'S)-3'-Hydroxy-epsilon,epsilon-caroten-3-one > C40H54O2 > 566.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > OTHWKRBAHPOBSP-FDYQWYAWSA-N > InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,37-,38-/m1/s1 > C1C(C)(C)[C@H](/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)=CC1=O > - > - > - > - > - > - > 14409081 > - > - > - > - > - > 8241; 761904; 9606 > 9286269 $$$$