LMPR01070848 LIPID_MAPS_STRUCTURE_DATABASE 64 67 0 0 0 999 V2000 3.0772 -11.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 -11.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 -12.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 -13.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 -13.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 -13.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 -12.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0772 -13.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 -14.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 -13.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 -11.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1700 -8.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1700 -6.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4364 -5.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7029 -6.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5698 -7.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5698 -6.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4364 -6.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3032 -6.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3032 -7.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4364 -8.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7029 -8.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9951 -7.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4794 -10.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9948 -8.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8460 -8.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8460 -9.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9790 -10.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8106 -12.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5433 -11.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 -8.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2954 -8.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0965 -11.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5636 -11.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2454 -8.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4785 -10.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1279 -8.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1279 -9.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2779 -10.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4256 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 -8.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -8.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5636 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6967 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8300 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9632 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0965 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2296 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3629 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4960 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6293 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0290 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1622 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2954 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4288 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8102 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 -11.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8102 -11.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 -11.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 -10.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 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 6 8 1 1 0 0 0 5 9 1 1 0 0 0 4 10 1 6 0 0 0 3 11 1 1 0 0 0 7 1 1 6 0 0 0 16 22 1 6 0 0 0 20 12 1 1 0 0 0 19 13 1 6 0 0 0 18 14 1 1 0 0 0 17 15 1 1 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 16 1 0 0 0 0 21 20 1 0 0 0 0 26 22 1 1 0 0 0 25 23 2 0 0 0 0 28 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 28 36 1 0 0 0 0 63 1 1 1 0 0 0 62 29 2 0 0 0 0 61 30 1 0 0 0 0 52 31 1 0 0 0 0 56 32 1 0 0 0 0 47 33 1 0 0 0 0 43 34 1 0 0 0 0 37 35 1 0 0 0 0 38 37 2 0 0 0 0 25 37 1 0 0 0 0 38 28 1 0 0 0 0 38 39 1 0 0 0 0 40 39 2 0 0 0 0 43 40 1 0 0 0 0 59 41 1 0 0 0 0 59 42 1 0 0 0 0 44 43 2 0 0 0 0 45 44 1 0 0 0 0 46 45 2 0 0 0 0 47 46 1 0 0 0 0 48 47 2 0 0 0 0 49 48 1 0 0 0 0 50 49 2 0 0 0 0 51 50 1 0 0 0 0 52 51 2 0 0 0 0 53 52 1 0 0 0 0 54 53 2 0 0 0 0 55 54 1 0 0 0 0 56 55 2 0 0 0 0 57 56 1 0 0 0 0 58 57 2 0 0 0 0 60 58 1 0 0 0 0 64 59 1 0 0 0 0 60 59 1 0 0 0 0 61 60 2 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 M END > LMPR01070848 > Astaxanthin dirhamnoside > (3S,3'S)-3,3'-Di(alpha-D-rhamnosyloxy)-beta,beta-carotene-4,4'-dione > C52H72O12 > 888.50 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > BTGYPRJWGLDQRP-CCCUFOMRSA-N > InChI=1S/C52H72O12/c1-29(19-15-21-31(3)23-25-37-33(5)41(53)39(27-51(37,9)10)63-49-47(59)45(57)43(55)35(7)61-49)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(54)40(28-52(38,11)12)64-50-48(60)46(58)44(56)36(8)62-50/h13-26,35-36,39-40,43-50,55-60H,27-28H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+/t35-,36-,39+,40+,43-,44-,45+,46+,47+,48+,49-,50-/m1/s1 > O([C@H]1CC(C(=C(C1=O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1C(C)(C[C@@H](C(C=1C)=O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C)C)\C)\C)/C)/C)(C)C)[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1 > - > - > - > - > - > - > 44225038 > - > - > - > - > - > 407019 > 19557030 $$$$