LMPR01070335 LIPID_MAPS_STRUCTURE_DATABASE 81 83 0 0 0 999 V2000 -12.9669 -3.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0969 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2270 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3571 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4870 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6172 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7474 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8774 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0076 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 -0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2270 -0.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7474 -0.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 -2.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 -2.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8296 -2.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6926 -3.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6926 -4.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8296 -4.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9669 -4.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5841 -0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 -0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5841 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6891 -2.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 -1.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9703 -2.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 -1.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5520 -4.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0969 -2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9563 -1.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1075 -3.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1075 -4.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -1.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 1.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 -1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 1.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4185 -4.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4185 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2850 -4.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0344 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9017 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 -0.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7689 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7689 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9017 2.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0344 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 2.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2850 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4176 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5503 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6830 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8157 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9483 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0810 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4309 2.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 2.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 2.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0795 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2122 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3448 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3433 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6087 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6072 -5.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8725 -5.9272 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 21 31 1 0 0 0 26 32 1 0 0 0 21 33 1 0 0 0 26 34 1 0 0 0 23 35 1 1 0 0 2 36 1 0 0 0 37 2 2 0 0 0 1 38 1 6 0 0 25 38 1 6 0 0 1 36 1 1 0 0 25 39 1 1 0 0 16 40 2 0 0 0 40 41 2 0 0 0 28 42 1 1 0 0 41 43 1 1 0 0 15 43 2 0 0 0 20 43 1 0 0 0 30 44 1 1 0 0 30 45 1 6 0 0 35 46 1 0 0 0 46 47 2 0 0 0 46 48 1 0 0 0 42 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 49 52 2 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 48 59 1 0 0 0 59 60 1 0 0 0 60 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 58 66 2 0 0 0 66 67 1 0 0 0 67 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 65 73 2 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 2 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 2 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 M END > LMPR01070335 > Fucoxanthinol 3-linolenate 3'-palmitoleate > Fucoxanthinol 3-(9Z,12Z,15Z-octadecatrienoate) 3'-(9Z-hexadecenoate) > C74H112O7 > 1112.84 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 16:1FOH18:3 > WPOYEOXHXUOBNL-PKIRLHJSSA-N > InChI=1S/C74H112O7/c1-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-52-69(77)80-65-56-71(9,10)74(73(12,58-65)81-74)59-66(75)63(6)50-44-49-61(4)46-42-41-45-60(3)47-43-48-62(5)53-54-67-70(7,8)55-64(57-72(67,11)78)79-68(76)51-39-37-35-33-31-29-26-24-22-20-18-16-14-2/h15,17,21,23-24,26-28,41-50,53,64-65,78H,13-14,16,18-20,22,25,29-40,51-52,55-59H2,1-12H3/b17-15-,23-21-,26-24-,28-27-,42-41+,47-43+,49-44+,60-45+,61-46+,62-48+,63-50+/t54-,64-,65-,72+,73+,74-/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=[C@@]=C3[C@@](O)(C)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)CC3(C)C)O[C@]1(C)C[C@@H](OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)CC2(C)C > - > - > - > - > - > - > 171121485 > - > - > - > - > - > 427924 > 28750733 $$$$