LMPR01070356 LIPID_MAPS_STRUCTURE_DATABASE 79 81 0 0 0 999 V2000 -12.9855 -3.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1140 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2429 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3718 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5006 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6296 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7586 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8873 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1452 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2738 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4027 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2429 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7586 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4027 -2.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -2.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8493 -2.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7135 -3.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7135 -4.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8493 -4.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9855 -4.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 -1.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5743 -4.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1140 -2.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9748 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1247 -3.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1247 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 -1.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4420 -4.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4420 -3.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3099 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9729 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 -0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7098 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7098 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 2.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9729 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 2.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3099 -5.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4411 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 -1.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -1.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5568 -2.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1419 -2.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3694 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0379 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5748 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7085 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8422 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9759 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1096 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2433 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3770 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5107 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6444 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7781 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9121 -5.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 3 17 1 0 0 0 7 18 1 0 0 0 12 19 1 0 0 0 21 1 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 1 1 0 0 0 26 16 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 16 30 1 0 0 0 23 31 1 1 0 0 2 32 1 0 0 0 33 2 2 0 0 0 1 34 1 6 0 0 25 34 1 6 0 0 1 32 1 1 0 0 25 35 1 1 0 0 16 36 2 0 0 0 36 37 2 0 0 0 28 38 1 1 0 0 15 39 2 0 0 0 20 39 1 0 0 0 30 40 1 1 0 0 30 41 1 6 0 0 31 42 1 0 0 0 42 43 2 0 0 0 42 44 1 0 0 0 38 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 45 48 2 0 0 0 47 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 44 55 1 0 0 0 55 56 1 0 0 0 37 39 1 1 0 0 26 57 1 6 0 0 26 58 1 1 0 0 21 59 1 1 0 0 21 60 1 6 0 0 54 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 56 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 72 73 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 M END > LMPR01070356 > Fucoxanthinol 3,3'-dipalmitate > Fucoxanthinol 3-hexadecanoate 3'-hexadecanoate > C72H116O7 > 1092.87 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 16:0FOH16:0 > CPXSXYBSEXXHQH-DIVHMHRYSA-N > InChI=1S/C72H116O7/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-66(74)77-62-53-68(7,8)65(70(11,76)55-62)52-51-60(5)46-41-45-58(3)43-39-40-44-59(4)47-42-48-61(6)64(73)57-72-69(9,10)54-63(56-71(72,12)79-72)78-67(75)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51,62-63,76H,13-38,49-50,53-57H2,1-12H3/b40-39+,45-41+,47-42+,58-43+,59-44+,60-46+,61-48+/t52-,62-,63-,70+,71+,72-/m0/s1 > [C@@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=[C@@]=C3[C@@](O)(C)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)C[C@]3(C)C)\C)O[C@]1(C)C[C@@H](OC(CCCCCCCCCCCCCCC)=O)C[C@@]2(C)C > - > - > - > - > - > - > 171120210 > - > - > - > - > - > 427924 > 28750733 $$$$