LMPR01070892 LIPID_MAPS_STRUCTURE_DATABASE 61 61 0 0 0 999 V2000 -17.5714 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7054 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8394 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9733 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1073 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2413 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3753 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5092 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6433 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7772 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3753 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7413 2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7413 2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7054 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9733 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9111 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0451 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1791 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3131 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5811 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7772 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3131 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9733 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1073 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2413 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3753 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5092 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6433 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7772 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9111 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0451 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1791 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3131 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8394 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5811 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8113 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8113 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4452 0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 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 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 7 11 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 2 14 2 0 0 0 0 4 15 1 1 0 0 0 10 16 2 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 16 17 1 0 0 0 0 10 29 1 0 0 0 0 19 30 1 0 0 0 0 24 31 1 0 0 0 0 28 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 33 45 2 0 0 0 0 33 15 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 48 53 1 0 0 0 0 48 54 1 0 0 0 0 48 55 1 0 0 0 0 50 56 1 1 0 0 0 52 57 1 1 0 0 0 52 58 1 6 0 0 0 53 59 1 6 0 0 0 53 60 1 1 0 0 0 59 61 2 0 0 0 0 61 28 1 0 0 0 0 M END > LMPR01070892 > Tobiraxanthin D > (3S,3'S,5'R,6'S)-3,3',5',6'-tetrahydroxy-beta,beta-carotene-5,6-dione-3-myristate > C54H84O7 > 844.62 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > QDZWWJNTPKQWQD-RIBAHGSFSA-N > InChI=1S/C54H84O7/c1-12-13-14-15-16-17-18-19-20-21-22-33-50(58)61-48(38-46(6)55)41-51(7,8)49(57)35-34-44(4)31-25-29-42(2)27-23-24-28-43(3)30-26-32-45(5)36-37-54(60)52(9,10)39-47(56)40-53(54,11)59/h23-32,34-37,47-48,56,59-60H,12-22,33,38-41H2,1-11H3/b24-23+,29-25+,30-26+,35-34+,37-36+,42-27+,43-28+,44-31+,45-32+/t47-,48+,53+,54+/m0/s1 > CC(=O)C[C@@H](OC(=O)CCCCCCCCCCCCC)CC(C)(C)C(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@]1(O)C)\C > - > - > - > - > - > - > 163053400 > - > - > - > - > - > 43073 > - $$$$