LMPR01070694 LIPID_MAPS_STRUCTURE_DATABASE 52 53 0 0 0 999 V2000 2.3528 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -5.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -6.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 -5.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -4.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -4.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -3.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 -3.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -6.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 -6.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -7.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -8.3981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 -8.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 -8.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -9.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8491 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6512 -4.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5035 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3557 -4.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3557 -3.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5035 -2.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6512 -3.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0021 -5.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0048 -5.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7990 -2.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2580 -2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5035 -1.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8622 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7645 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6168 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3213 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2237 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1260 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9783 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8305 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6828 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5350 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4374 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2897 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1921 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0443 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9467 -4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0443 -5.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5350 -5.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7645 -3.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2237 -3.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5035 -0.7781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5008 -0.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5060 -0.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5035 0.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 -4.8387 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 1 5 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 2 10 1 0 0 0 3 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 12 14 2 0 0 0 12 15 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 17 22 1 0 0 0 18 23 1 0 0 0 18 24 1 0 0 0 22 25 1 0 0 0 20 26 1 0 0 0 21 27 1 6 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 39 40 2 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 42 44 1 0 0 0 38 45 1 0 0 0 29 46 1 0 0 0 33 47 1 0 0 0 43 16 2 0 0 0 27 48 1 0 0 0 48 49 2 0 0 0 48 50 2 0 0 0 48 51 1 0 0 0 28 6 2 0 0 0 4 52 1 0 0 0 52 6 1 0 0 0 52 5 1 0 0 0 M END > LMPR01070694 > Ophioxanthin > 3,3'-dihydroxy-5,6,5',6'-tetrahydro-beta,beta-carotene-4,4'-diyl disulphate > C40H60O10S2 > 764.36 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > KMHJHLBHUCBJMZ-ZNWSGOPJSA-N > InChI=1S/C40H60O10S2/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/h11-24,31-38,41-42H,25-26H2,1-10H3,(H,43,44,45)(H,46,47,48)/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t31?,32?,33?,34?,35?,36?,37-,38?/m0/s1 > C1C(C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(C)[C@H](OS(O)(=O)=O)C(O)CC2(C)C)C(C)C(OS(O)(=O)=O)C1O)(C)C > - > - > - > - > - > - > - > - > - > - > - > - > 72727 > - $$$$