LMPR01070717 LIPID_MAPS_STRUCTURE_DATABASE 43 45 0 0 0 999 V2000 22.1840 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1840 -9.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3385 -9.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4930 -9.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4930 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3385 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5977 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7522 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9067 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0612 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2157 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3702 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5247 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6791 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8336 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9881 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1426 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2971 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4516 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7606 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -10.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8358 -12.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8411 -12.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6474 -9.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0696 -11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -9.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2971 -9.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9067 -12.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5247 -12.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7522 -9.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0295 -9.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -11.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -12.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5331 -11.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 -12.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 -13.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -13.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -13.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9807 -10.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 -10.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 -13.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 -13.6922 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 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 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 6 23 1 0 0 0 0 6 24 1 0 0 0 0 4 25 1 1 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 18 28 1 0 0 0 0 9 29 1 0 0 0 0 13 30 1 0 0 0 0 8 31 1 0 0 0 0 4 31 1 0 0 0 0 2 32 1 1 0 0 0 26 33 3 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 34 39 2 0 0 0 0 35 40 1 0 0 0 0 35 41 1 0 0 0 0 39 42 1 0 0 0 0 37 43 1 1 0 0 0 M END > LMPR01070717 > Diadinochrome B > (8'R)-5,8-Epoxy-7',8'-didehydro-5,8-dihydro-beta,beta-carotene-3,3'-diol > C40H54O3 > 582.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > USOIUYXBYYVLLZ-PMBXBIOBSA-N > InChI=1S/C40H54O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-20,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,36+,40-/m1/s1 > C1C(C)(C)C2=C[C@H](O[C@]2(C)C[C@H]1O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC1=C(C)C[C@@H](O)CC1(C)C > - > - > 181813 > - > - > - > 101176786 > - > - > - > - > - > 2868 > 12499607 $$$$