LMPR01070497 LIPID_MAPS_STRUCTURE_DATABASE 85 86 0 0 0 999 V2000 1.9830 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4088 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1465 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9905 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8842 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7283 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5723 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4660 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 -1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7283 -1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1540 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4519 -3.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3953 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0904 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8421 -1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8988 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3953 -4.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2890 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1330 -4.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9770 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8707 -4.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7147 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5587 -4.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4525 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2965 -4.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1405 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0342 -4.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8782 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7222 -4.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8487 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6927 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4304 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2744 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1184 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 -6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 -6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6927 -6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 -6.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9624 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5227 -6.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2604 -8.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2533 -8.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5513 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7568 -7.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3953 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2890 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1330 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9770 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8707 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7147 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5587 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4525 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2965 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1405 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0342 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8782 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3953 -6.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3953 -8.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8707 -6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2965 -6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7222 -7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5662 -7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7222 -6.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8707 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2965 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5662 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7222 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5513 -5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6575 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8988 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 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 9 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 2 14 1 0 0 0 6 15 1 1 0 0 10 16 1 1 0 0 17 13 1 1 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 17 22 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 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 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 37 50 1 0 0 0 41 51 1 1 0 0 45 52 1 1 0 0 49 53 1 0 0 0 54 49 1 6 0 0 49 55 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 54 59 1 0 0 0 56 54 1 0 0 0 58 60 1 1 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 65 66 1 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 60 72 1 0 0 0 60 73 1 0 0 0 64 74 1 6 0 0 68 75 1 6 0 0 71 76 1 0 0 0 76 77 1 0 0 0 76 78 1 0 0 0 72 23 1 0 0 0 27 79 1 6 0 0 31 80 1 6 0 0 35 81 1 0 0 0 35 82 1 0 0 0 23 83 1 0 0 0 19 23 1 1 0 0 17 84 1 6 0 0 22 85 1 6 0 0 M END > LMPR01070497 > Lycopanerol D > Complex derivative of psi,psi-caroten > C80H158O5 > 1199.21 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > YDIKFVRVEKXATB-GCQXIEMNSA-N > InChI=1S/C80H158O5/c1-61(2)33-21-37-65(9)41-25-45-69(13)49-29-57-77(17,82)74-55-56-75(83-74)79(19,59-31-51-71(15)47-27-43-67(11)39-23-35-63(5)6)85-80(20,60-32-52-72(16)48-28-44-68(12)40-24-36-64(7)8)76-54-53-73(81)78(18,84-76)58-30-50-70(14)46-26-42-66(10)38-22-34-62(3)4/h61-76,81-82H,21-60H2,1-20H3/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77?,78+,79?,80?/m1/s1 > CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@]1(C)[C@H](O)CC[C@@H](C(C)(OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]2O[C@H](CC2)C(C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O1 > - > - > - > - > - > - > 101057038 > - > - > - > - > - > 38881 > 10897485 $$$$