LMPR01070351 LIPID_MAPS_STRUCTURE_DATABASE 83 85 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 -15.5676 -5.9339 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 -14.5671 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7008 -6.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8344 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8340 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9677 -6.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1014 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1010 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2348 -6.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3684 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5017 -6.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6353 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7692 -6.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 -5.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -6.4339 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 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 56 57 1 0 0 0 37 39 1 1 0 0 26 58 1 6 0 0 26 59 1 1 0 0 21 60 1 1 0 0 21 61 1 6 0 0 57 62 2 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 2 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 2 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 2 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 54 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 M END > LMPR01070351 > Fucoxanthinol 3-arachidonate 3'-palmitate > Fucoxanthinol 3-(5Z,8Z,11Z,14Z-eicosatetraenoate) 3'-hexadecanoate > C76H116O7 > 1140.87 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 16:0FOH20:4 > TXLLWPMVWXIZJJ-GYUFHSNASA-N > InChI=1S/C76H116O7/c1-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-54-71(79)82-67-58-73(9,10)76(75(12,60-67)83-76)61-68(77)65(6)52-46-51-63(4)48-44-43-47-62(3)49-45-50-64(5)55-56-69-72(7,8)57-66(59-74(69,11)80)81-70(78)53-41-39-37-35-33-31-26-24-22-20-18-16-14-2/h21,23,27-28,30,32,36,38,43-52,55,66-67,80H,13-20,22,24-26,29,31,33-35,37,39-42,53-54,57-61H2,1-12H3/b23-21-,28-27-,32-30-,38-36-,44-43+,49-45+,51-46+,62-47+,63-48+,64-50+,65-52+/t56-,66-,67-,74+,75+,76-/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(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)C[C@@]2(C)C > - > - > - > - > - > - > 171121500 > - > - > - > - > - > 427924 > 28750733 $$$$