LMPR01070693 LIPID_MAPS_STRUCTURE_DATABASE 52 53 0 0 0 999 V2000 19.0879 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8976 3.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7579 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6183 3.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6183 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7579 4.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8976 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2519 1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2641 1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0372 4.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4787 4.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7579 5.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5262 1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5262 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2469 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2469 1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8805 2.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 2.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0305 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8909 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6116 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5226 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3829 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2433 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1037 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9641 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8244 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6848 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5452 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4562 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3165 2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1769 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3165 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8244 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0305 4.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5226 4.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -1.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -2.0536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 -2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -3.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7579 6.5762 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.7579 6.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7579 6.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7579 7.5762 0.0000 O 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 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 7 10 1 0 0 0 5 11 1 0 0 0 6 12 1 6 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 13 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 16 22 1 0 0 0 14 23 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 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 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 38 40 1 0 0 0 34 41 1 0 0 0 25 42 1 0 0 0 29 43 1 0 0 0 19 24 3 0 0 0 15 44 1 0 0 0 39 1 2 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 45 47 2 0 0 0 45 48 1 0 0 0 12 49 1 0 0 0 49 50 2 0 0 0 49 51 2 0 0 0 49 52 1 0 0 0 M END > LMPR01070693 > Dehydroophioxanthin > 3,3'-Dihydroxy-7,8-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-4,4'-diyl disulphate > C40H58O10S2 > 762.35 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > YKALPTBJRPYPTF-MQHNHPERSA-N > InChI=1S/C40H58O10S2/c1-27(17-13-19-29(3)21-23-33-31(5)37(49-51(43,44)45)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(50-52(46,47)48)36(42)26-40(34,9)10/h11-21,23,31-38,41-42H,25-26H2,1-10H3,(H,43,44,45)(H,46,47,48)/b12-11+,17-13+,18-14+,23-21+,27-15+,28-16+,29-19+,30-20+/t31?,32?,33?,34?,35?,36?,37-,38?/m0/s1 > C(=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC1C(C)(C)CC(O)C(OS(O)(=O)=O)C1C)\C1C(C)[C@H](OS(O)(=O)=O)C(O)CC1(C)C > - > - > - > - > - > - > - > - > - > - > - > - > 55617 > - $$$$