LMPR01070383 LIPID_MAPS_STRUCTURE_DATABASE 86 87 0 0 0 999 V2000 -13.0354 -3.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9139 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9026 -2.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7701 -3.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7701 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9026 -4.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0354 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 -3.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -2.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -2.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6341 -4.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1604 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8771 -1.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 -1.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5052 -4.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5052 -3.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3763 -4.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -2.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -1.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4928 -2.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -3.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3645 -1.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3645 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4928 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3763 -5.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5043 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -4.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8626 -4.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6128 -2.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1925 -2.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8797 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1660 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7755 -5.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1660 -4.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2910 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4215 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5522 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6826 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8132 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4215 -1.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9439 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0744 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2049 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3355 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 -4.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 -4.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6202 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4155 -2.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5043 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6382 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7722 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7722 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9062 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0402 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0402 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1741 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3081 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3081 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4421 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5761 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5761 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 -0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1477 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4156 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 -0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3164 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 1 1 0 0 0 9 3 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 3 13 1 0 0 0 6 14 1 1 0 0 1 15 1 6 0 0 11 16 1 1 0 0 13 17 1 1 0 0 13 18 1 6 0 0 14 19 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 16 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 22 25 2 0 0 0 24 26 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 21 31 1 0 0 0 31 32 1 0 0 0 9 33 1 6 0 0 9 34 1 1 0 0 4 35 1 1 0 0 4 36 1 6 0 0 30 37 1 0 0 0 1 38 1 1 0 0 8 39 1 1 0 0 8 40 1 6 0 0 15 41 2 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 42 46 1 0 0 0 45 47 1 0 0 0 47 48 2 0 0 0 48 49 1 0 0 0 47 2 1 0 0 0 49 50 2 0 0 0 50 51 1 0 0 0 51 52 2 0 0 0 52 53 1 0 0 0 52 54 1 0 0 0 54 55 2 0 0 0 55 56 1 0 0 0 56 57 2 0 0 0 57 58 1 0 0 0 57 59 1 0 0 0 59 60 2 0 0 0 3 60 1 6 0 0 3 61 1 1 0 0 32 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 2 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 2 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 37 80 2 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 M END > LMPR01070383 > Mactraxanthin 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) 3'-palmitoleate > Mactraxanthin 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) 3'-(9Z-hexadecenoate) > C78H118O8 > 1182.88 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 16:1MX22:6 > NBESRUBTPMVWRR-XJRDWGBFSA-N > InChI=1S/C78H118O8/c1-13-15-17-19-21-23-25-27-28-29-30-31-32-34-36-38-40-42-44-56-72(80)86-70-62-74(9,10)78(84,76(12,82)64-70)60-58-68(6)54-48-52-66(4)50-46-45-49-65(3)51-47-53-67(5)57-59-77(83)73(7,8)61-69(63-75(77,11)81)85-71(79)55-43-41-39-37-35-33-26-24-22-20-18-16-14-2/h15,17,21,23-24,26-28,30-31,34,36,40,42,45-54,57-60,69-70,81-84H,13-14,16,18-20,22,25,29,32-33,35,37-39,41,43-44,55-56,61-64H2,1-12H3/b17-15-,23-21-,26-24-,28-27-,31-30-,36-34-,42-40-,46-45+,51-47+,52-48+,59-57+,60-58+,65-49+,66-50+,67-53+,68-54+/t69-,70-,75+,76+,77+,78+/m0/s1 > [C@]1(O)(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/[C@]2(O)[C@@](O)(C)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)C[C@]2(C)C)\C)\C)[C@@](O)(C)C[C@@H](OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)C[C@@]1(C)C > - > - > - > - > - > - > 171120483 > - > - > - > - > - > 427924 > 28750733 $$$$