LMPR01070918 LIPID_MAPS_STRUCTURE_DATABASE 56 57 0 0 0 999 V2000 11.4954 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4954 -11.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3621 -12.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2289 -11.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2289 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3621 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1136 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9803 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8471 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7138 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5807 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4475 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3141 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1809 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0476 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9144 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7811 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6479 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5147 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3814 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2481 -10.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1149 -10.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8617 -9.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8625 -9.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9770 -10.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8292 -10.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6792 -10.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5303 -10.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3970 -10.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3970 -9.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5461 -8.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6793 -9.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0298 -11.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0306 -11.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7968 -8.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1149 -11.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6479 -11.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8471 -9.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3141 -9.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6287 -12.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2620 -8.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1023 -12.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9757 -8.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9757 -7.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8549 -7.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1216 -7.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7088 -7.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5750 -7.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4412 -7.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3074 -7.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1736 -7.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0398 -7.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -7.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7722 -7.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6383 -7.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5046 -7.3773 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 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 0 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 22 25 1 0 0 0 25 26 2 0 0 0 27 26 1 0 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 22 36 1 0 0 0 18 37 1 0 0 0 9 38 1 0 0 0 13 39 1 0 0 0 2 40 1 1 0 0 30 41 1 6 0 0 4 42 1 0 0 0 38 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 44 46 2 0 0 0 45 47 2 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 M END > LMPR01070918 > Loroxanthin dodecenoate > (3R,3'R,6'R)-19-Dodec-2-enoyloxy-beta,epsilon-carotene-3,3'-diol > C52H76O4 > 764.57 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > TXBAOQMCVDHBKR-CEIPEQSSSA-N > InChI=1S/C52H76O4/c1-11-12-13-14-15-16-17-18-19-30-50(55)56-39-45(32-34-49-44(6)36-47(54)38-52(49,9)10)29-23-28-41(3)25-21-20-24-40(2)26-22-27-42(4)31-33-48-43(5)35-46(53)37-51(48,7)8/h19-35,46-48,53-54H,11-18,36-39H2,1-10H3/b21-20+,26-22+,28-23+,30-19+,33-31+,34-32+,40-24+,41-25+,42-27+,45-29-/t46-,47+,48?/m0/s1 > C1C(C)(C)C(/C=C/C(/COC(=O)/C=C/CCCCCCCCC)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(C)=C[C@H](O)CC2(C)C)=C(C)C[C@H]1O > - > - > - > - > - > - > 163031174 > - > - > - > - > - > 3164 > 27033815 $$$$