LMPR01070489 LIPID_MAPS_STRUCTURE_DATABASE 45 44 0 0 0 999 V2000 0.5207 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5429 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4388 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2848 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0268 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8729 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7190 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5650 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4609 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3070 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1531 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 -8.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5429 -8.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8729 -11.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3070 -11.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0673 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9134 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -8.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -8.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9992 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8950 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7411 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5872 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4831 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3292 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1752 -10.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0711 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7411 -11.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1752 -11.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8047 -10.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 -11.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6748 -9.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 -8.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0408 -10.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2986 -11.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 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 4 19 1 0 0 0 8 20 1 0 0 0 13 21 1 0 0 0 17 22 1 0 0 0 1 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 1 0 0 0 23 28 1 0 0 0 27 29 1 0 0 0 18 30 1 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 32 38 1 0 0 0 36 39 1 0 0 0 27 40 1 0 0 0 26 41 2 0 0 0 27 42 1 0 0 0 29 43 1 0 0 0 36 44 1 0 0 0 39 45 1 0 0 0 M END > LMPR01070489 > Methoxyspheroidenone > 1,1'-Dimethoxy-3,4-didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-2-one > C42H62O3 > 614.47 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > DUHDYFGXWSZKKS-HHIGAVIFSA-N > InChI=1S/C42H62O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-16,18,20-25,27-29,31-32H,17,19,26,30,33H2,1-12H3/b14-13+,22-15+,23-16+,27-18+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+ > C(=C(/C)\C=C\C(=O)C(C)(C)OC)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCCC(C)(OC)C > - > - > - > - > - > - > 87443361 > - > - > - > - > - > 1063 > - $$$$