LMPR01071020 LIPID_MAPS_STRUCTURE_DATABASE 47 48 0 0 0 999 V2000 20.9582 -10.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2006 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0056 -11.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7406 -13.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7406 -14.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 -14.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 -14.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 -13.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 -12.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 -12.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 -12.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0993 -12.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 -14.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 -14.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3634 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2188 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0741 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7848 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6906 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5461 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4014 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2568 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1122 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9676 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8229 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6783 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4394 -12.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2948 -11.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4394 -13.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9676 -13.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2188 -10.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6906 -10.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8938 -12.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7404 -10.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3981 -9.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4047 -9.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1328 -10.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2552 -11.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6014 -9.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7007 -10.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8026 -8.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0827 -10.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2832 -10.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 -14.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9436 -10.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 7 13 1 0 0 0 0 5 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 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 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 25 32 1 0 0 0 0 16 33 1 0 0 0 0 20 34 1 0 0 0 0 10 15 3 0 0 0 0 30 2 2 0 0 0 0 3 35 2 0 0 0 0 1 3 1 0 0 0 0 1 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 1 39 1 0 0 0 0 1 40 1 0 0 0 0 36 41 1 0 0 0 0 36 42 1 0 0 0 0 38 43 1 0 0 0 0 33 44 1 0 0 0 0 30 45 1 0 0 0 0 14 46 1 0 0 0 0 44 47 1 0 0 0 0 M END > LMPR01071020 > Agelaxanthin B > 19,3',8'-Trihydroxy-3,19-dimethoxy-7,8-didehydro-beta,kappa-caroten-6'-one > C42H58O5 > 642.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > DSPUKWBPWQZZJD-RSFRUAQZSA-N > InChI=1S/C42H58O5/c1-30(18-14-20-32(3)38(44)25-39(45)42(9)27-35(43)26-41(42,7)8)16-12-13-17-31(2)19-15-21-34(29-46-10)22-23-37-33(4)24-36(47-11)28-40(37,5)6/h12-21,25,35-36,43-44H,24,26-29H2,1-11H3/b13-12+,18-14+,19-15+,30-16+,31-17+,32-20+,34-21-,38-25- > C1(C)(CC(O)CC1(C)C)C(=O)/C=C(\O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\COC)/C#CC1C(C)(C)CC(OC)CC=1C > - > - > - > - > - > - > 171119200 > - > - > - > - > - > 2723817 > - $$$$