LMPR01070945 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 999 V2000 2.2027 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 -7.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -8.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -7.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4194 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2859 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1524 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0188 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8853 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7517 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6183 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4847 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3512 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2177 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0842 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9506 -6.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8171 -6.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 -5.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 -5.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 -8.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6789 -6.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5309 -6.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3805 -6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2314 -6.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0979 -6.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0979 -5.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2471 -4.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3806 -5.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7311 -7.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7315 -7.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4985 -4.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8171 -7.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3512 -7.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 -5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0188 -5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 -8.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9614 -4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8021 -7.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6864 -4.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6864 -3.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -3.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 -3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4194 -3.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2858 -3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1523 -3.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0188 -3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8853 -3.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7517 -3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6182 -3.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4847 -3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9507 -8.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9507 -9.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0842 -9.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8171 -9.7048 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 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 4 25 1 1 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 33 36 1 0 0 0 0 22 37 1 0 0 0 0 18 38 1 0 0 0 0 9 39 1 0 0 0 0 13 40 1 0 0 0 0 2 41 1 1 0 0 0 31 42 1 6 0 0 0 5 43 1 6 0 0 0 4 43 1 6 0 0 0 39 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 45 47 1 0 0 0 0 37 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 2 0 0 0 0 M END > LMPR01070945 > Lepidoxanthin > (3S,5R,6S,3'R,6'R)-5,6-epoxy-19-(2-decenoyloxy)-19'-acetoxy-4',5'-didehydro-5,6,5',6'-tetrahydro-beta,epsilon-carotene-3,3'-diol > C52H74O7 > 810.54 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > LQEAEODLIWWIFW-QGDBLCQUSA-N > InChI=1S/C52H74O7/c1-11-12-13-14-15-16-17-28-48(56)58-38-44(31-32-52-50(8,9)35-46(55)36-51(52,10)59-52)27-21-25-40(3)23-19-18-22-39(2)24-20-26-43(37-57-42(5)53)29-30-47-41(4)33-45(54)34-49(47,6)7/h17-33,45-47,54-55H,11-16,34-38H2,1-10H3/b19-18+,24-20+,25-21+,28-17+,30-29+,32-31+,39-22+,40-23+,43-26-,44-27-/t45-,46-,47-,51+,52-/m0/s1 > C1C(C)(C)[C@@]2(O[C@]2(C)C[C@H]1O)/C=C/C(/COC(/C=C/CCCCCCC)=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\COC(=O)C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C > - > - > - > - > - > - > 132522595 > - > - > - > - > - > 107758 > 27583572 $$$$