LMPR01070977 LIPID_MAPS_STRUCTURE_DATABASE 42 43 0 0 0 999 V2000 -3.0450 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -14.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -15.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 -14.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3063 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6397 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5063 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1064 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9730 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8397 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7063 -13.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5731 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6788 -12.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -12.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -15.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4350 -13.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2872 -13.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1371 -13.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9880 -13.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8547 -13.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8548 -12.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0038 -11.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1371 -12.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4877 -14.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4884 -14.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2548 -11.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5731 -14.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1064 -14.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3063 -12.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -12.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9115 -15.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7185 -11.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 -13.9066 0.0000 C 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 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 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 6 22 1 0 0 0 6 23 1 0 0 0 4 24 1 0 0 0 21 25 1 0 0 0 25 26 2 0 0 0 27 26 1 6 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 27 32 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 32 35 1 0 0 0 21 36 1 0 0 0 17 37 1 0 0 0 9 38 1 0 0 0 12 39 1 0 0 0 2 40 2 0 0 0 30 41 1 6 0 0 11 42 2 0 0 0 42 12 1 0 0 0 M END > LMPR01070977 > 3'-Hydroxy-3-keto-epsilon-carotene > (6S,3'R,6'S)-3'-Hydroxy-epsilon,epsilon-caroten-3-one > C40H54O2 > 566.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > OTHWKRBAHPOBSP-CKJADKKOSA-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+/m0/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 > - > - > - > - > - > - > 163057422 > - > - > - > - > - > 9606; 293904 > 9286269 $$$$