LMPR01070719 LIPID_MAPS_STRUCTURE_DATABASE 43 45 0 0 0 999 V2000 2.1889 -11.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1889 -12.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0464 -13.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -12.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -11.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0464 -11.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -10.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 -10.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7749 -13.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 -13.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5936 -11.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4513 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3089 -11.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1665 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -11.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8818 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7393 -11.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5970 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4545 -11.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3122 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1699 -11.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0274 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8850 -11.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7427 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5955 -11.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7852 -10.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6262 -9.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4682 -10.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3260 -9.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3260 -8.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4838 -8.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6263 -8.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9731 -11.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9635 -11.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7531 -8.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7427 -12.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3122 -12.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5936 -10.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -10.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1807 -8.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 -11.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -12.1096 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 1 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 4 9 1 1 0 0 2 10 1 1 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 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 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 3 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 28 33 2 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 33 36 1 0 0 0 25 37 1 0 0 0 21 38 1 0 0 0 12 39 1 0 0 0 16 40 1 0 0 0 31 41 1 1 0 0 11 42 2 0 0 0 5 42 1 1 0 0 5 43 1 6 0 0 4 43 1 6 0 0 M END > LMPR01070719 > Diadinoxanthin > (3S,5R,6S,3'R)-5,6-Epoxy-7',8'-didehydro-5,6-dihydro-beta,beta-caroten-3,3'-diol > C40H54O3 > 582.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > Diadinoxanthin A > OGHZCSINIMWCSB-GHIQLMQGSA-N > InChI=1S/C40H54O3/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)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,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@@]2(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(\C)/C#CC1=C(C)C[C@@H](O)CC1(C)C > - > - > 177613 > - > - > - > 6449888 > - > - > - > - > - > 45948; 3040; 2961 > 16218688 $$$$