LMPR01080031 LIPID_MAPS_STRUCTURE_DATABASE 54 54 0 0 0 999 V2000 6.6350 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4732 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3606 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1988 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9244 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6006 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4882 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3262 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1644 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0518 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8899 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7281 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5662 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4537 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2918 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1299 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1988 -5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6006 -5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8899 -8.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2918 -8.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2332 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3457 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 -5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3457 -5.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9681 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8555 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6937 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5319 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4193 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2574 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0955 -7.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9830 -6.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6937 -8.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3596 -7.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0834 -8.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2456 -8.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 -8.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 -9.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 -10.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2719 -5.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1278 -5.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1233 -4.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2611 -3.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9739 -3.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 -10.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9536 -7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 -8.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 -9.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 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 4 19 1 0 0 0 8 20 1 0 0 0 13 21 1 0 0 0 17 22 1 0 0 0 1 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 23 28 1 0 0 0 27 29 1 0 0 0 18 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 32 38 1 0 0 0 27 39 1 0 0 0 36 40 1 0 0 0 26 41 1 6 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 35 45 1 6 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 47 49 1 0 0 0 27 50 1 0 0 0 43 51 1 0 0 0 36 52 1 0 0 0 41 53 1 0 0 0 43 54 1 0 0 0 53 54 1 0 0 0 M END > LMPR01080031 > Haloxanthin > (2R,2'R)-2'-(3-Methylbut-2-enyl)-2-(3-methyl-1,3-peroxybutyl)-3,4-didehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol > C50H74O4 > 738.56 > Prenol Lipids [PR] > Isoprenoids [PR01] > Polyterpenes [PR0108] > - > > LTZKXZZQHUUMDI-UCKCZTKQSA-N > InChI=1S/C50H74O4/c1-38(2)31-34-45(49(11,12)51)35-32-43(7)29-19-27-41(5)25-17-23-39(3)21-15-16-22-40(4)24-18-26-42(6)28-20-30-44(8)33-36-46(50(13,14)52)47-37-48(9,10)54-53-47/h15-31,33,36,45-47,51-52H,32,34-35,37H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,36-33+,39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-,46+,47?/m0/s1 > C(=C(/C)\C=C\[C@H](C1OOC(C)(C)C1)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=C/C=C(\C)/CC[C@H](C/C=C(/C)\C)C(C)(O)C > - > - > - > - > - > - > 162933772 > - > - > - > - > - > 1275 > - $$$$