LMPR01070746 LIPID_MAPS_STRUCTURE_DATABASE 47 49 0 0 0 999 V2000 1.7791 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -13.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -14.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 -13.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1199 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9779 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8359 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4101 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9842 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8423 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7508 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6089 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 -11.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 -11.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -14.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 -14.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3533 -13.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -11.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1199 -11.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8423 -13.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4669 -12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 -12.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1326 -12.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 -13.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0410 -11.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8991 -11.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7571 -11.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6151 -11.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6151 -10.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7571 -9.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8991 -10.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5237 -9.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3817 -10.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1893 -9.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3817 -11.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9401 -10.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6467 -9.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2523 -12.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2618 -12.8344 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 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 1 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 6 21 1 0 0 0 6 22 1 0 0 0 4 23 1 1 0 0 2 24 1 1 0 0 5 25 1 6 0 0 4 25 1 6 0 0 13 26 1 0 0 0 9 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 29 30 2 0 0 0 31 30 1 1 0 0 30 32 1 0 0 0 31 33 2 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 34 39 1 0 0 0 37 40 1 1 0 0 40 41 1 0 0 0 41 42 1 0 0 0 41 43 2 0 0 0 39 44 1 1 0 0 39 45 1 6 0 0 35 46 1 0 0 0 35 47 1 0 0 0 M END > LMPR01070746 > Dinoxanthin > (3S,5R,6S,3'S,5'R,6'R)-5,6-Epoxy-3'-ethanoyloxy-6',7'-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5'-diol > C42H58O5 > 642.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > PVNVIBOWBAPFOE-GYMZYDTCSA-N > InChI=1S/C42H58O5/c1-30(18-14-20-32(3)22-23-37-38(6,7)28-36(46-34(5)43)29-40(37,10)45)16-12-13-17-31(2)19-15-21-33(4)24-25-42-39(8,9)26-35(44)27-41(42,11)47-42/h12-22,24-25,35-36,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,25-24+,30-16+,31-17+,32-20+,33-21+/t23-,35-,36-,40+,41+,42-/m0/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=[C@]=C1[C@@](O)(C)C[C@@H](OC(=O)C)CC1(C)C > - > - > - > - > - > - > 6443021 > - > - > - > - > - > 2955 > - $$$$