LMPR01070291 LIPID_MAPS_STRUCTURE_DATABASE 45 47 0 0 0 999 V2000 7.9265 10.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7925 10.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7925 9.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6585 8.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9264 8.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9267 11.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7926 11.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7927 13.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 13.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 13.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 14.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 12.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0606 12.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5605 11.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7927 12.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7588 11.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5247 9.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3905 8.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 9.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1227 8.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2567 10.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9886 9.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8545 8.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7206 9.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5866 8.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4527 9.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5865 7.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3186 8.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1848 9.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0506 8.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0505 7.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7826 8.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6487 8.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3807 8.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5145 6.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3806 7.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2465 6.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6486 7.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0149 9.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5148 8.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0148 9.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9167 9.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9168 10.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6486 7.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1485 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 6 15 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 15 8 1 0 0 0 0 15 7 1 0 0 0 0 13 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 6 0 0 0 4 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 19 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 42 30 1 6 0 0 0 30 31 1 0 0 0 0 42 32 2 0 0 0 0 32 33 2 0 0 0 0 33 40 1 0 0 0 0 33 38 1 0 0 0 0 40 34 1 0 0 0 0 34 36 1 0 0 0 0 38 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 6 0 0 0 38 45 1 6 0 0 0 38 44 1 1 0 0 0 40 39 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 1 0 0 0 3 4 2 0 0 0 0 M END > LMPR01070291 > 9'-cis-neoxanthin > (3S,5R,6R,3'S,5'R,6'S)-9'-cis-6,7-didehydro-5,6,5',6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,5,3'-triol > C40H56O4 > 600.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 9'-cis-Neoxanthin; 9'-cis-neoxanthin > PGYAYSRVSAJXTE-OQASCVKESA-N > InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1 > C(=C/C(=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C([H])=[C@@]=C1[C@@](O)(C)C[C@@H](O)CC1(C)C)/C)\[C@]12C(C)(C)C[C@H](O)C[C@@]1(C)O2 > C13431 > - > 35306 > - > - > - > 5282217 > - > - > - > - > - > 3055; 33090 > 16655982 $$$$