LMPR01070353 LIPID_MAPS_STRUCTURE_DATABASE 79 81 0 0 0 999 V2000 -12.9813 -3.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1101 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2393 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3685 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4976 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6268 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7561 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8851 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0144 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1435 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2724 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2393 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7561 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 -2.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -2.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8449 -2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7088 -3.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7088 -4.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8449 -4.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9813 -4.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5165 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 -0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5165 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5693 -4.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1101 -2.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9706 -1.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1208 -3.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1208 -4.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4367 -4.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4367 -3.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3043 -4.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9707 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8389 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8389 2.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9707 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 2.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3043 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4358 -6.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 -1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2236 -1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5521 -2.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1377 -2.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0379 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5698 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7038 -6.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8378 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9717 -6.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1057 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1057 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2397 -6.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3737 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5076 -6.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6416 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7756 -6.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9096 -5.9352 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 72 73 2 0 0 0 73 74 1 0 0 0 74 75 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 > LMPR01070353 > Fucoxanthinol 3-palmitoleate 3'-palmitate > Fucoxanthinol 3-(9Z-hexadecenoate) 3'-hexadecanoate > C72H114O7 > 1090.86 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 16:0FOH16:1 > XPOYCCSLZIKZGZ-OHEPWPRVSA-N > InChI=1S/C72H114O7/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/h24,26,39-48,51,62-63,76H,13-23,25,27-38,49-50,53-57H2,1-12H3/b26-24-,40-39+,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(CCCCCCC/C=C\CCCCCC)=O)C[C@@]2(C)C > - > - > - > - > - > - > 171120218 > - > - > - > - > - > 427924 > 28750733 $$$$