LMPR01070670 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 2.8815 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -13.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 -14.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6025 -13.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6025 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3413 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2017 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7833 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6437 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3647 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2251 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0856 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9460 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8067 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6671 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5275 -12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3880 -12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2438 -12.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1043 -11.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9648 -11.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8242 -11.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6847 -11.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6847 -10.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8252 -9.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9648 -10.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1217 -12.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5268 -12.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1033 -9.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 -14.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4762 -14.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 -15.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4629 -13.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 -11.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 -11.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2017 -11.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6437 -11.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3880 -13.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9460 -13.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5603 -9.8979 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 22 23 1 0 0 0 0 23 24 3 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 25 30 2 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 30 33 1 0 0 0 0 2 34 1 1 0 0 0 4 35 1 6 0 0 0 4 36 1 1 0 0 0 5 37 1 6 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 9 40 1 0 0 0 0 13 41 1 0 0 0 0 22 42 1 0 0 0 0 18 43 1 0 0 0 0 28 44 1 1 0 0 0 M END > LMPR01070670 > 6-Epiheteroxanthin > (3S,5R,6S,3'R)-7',8'-Didehydro-5,6-dihydro-beta,beta-carotene-3,5,6,3'-tetrol > C40H56O4 > 600.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > ZEXQVPRPMQVOFT-GHIQLMQGSA-N > InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 > C1C(C)(C)[C@@](O)(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC2=C(C)C[C@@H](O)CC2(C)C)[C@](C)(O)C[C@H]1O > - > - > - > - > - > - > 11664389 > - > - > - > - > - > 45948 > 16218688 $$$$