LMPR01070853 LIPID_MAPS_STRUCTURE_DATABASE 86 94 0 0 0 999 V2000 13.7196 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5671 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4145 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2620 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1094 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0067 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9040 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7515 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5989 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4465 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3438 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1911 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0387 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9360 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8333 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6807 -13.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8333 -15.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3438 -15.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5671 -12.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0067 -12.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5282 -13.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3756 -12.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2231 -13.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1204 -12.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1204 -11.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2729 -11.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3756 -11.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7246 -14.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7714 -14.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5282 -11.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9678 -11.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8722 -13.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2800 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2800 -15.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1274 -15.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 -15.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 -14.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1274 -13.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 -12.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6259 -12.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8223 -15.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3827 -15.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8383 -14.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7196 -15.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8353 -11.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6766 -11.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8437 -12.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -13.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -13.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 -14.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0365 -14.9261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -14.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 -14.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 -15.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5748 -16.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2418 -17.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 -16.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -15.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 -14.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 -15.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -18.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 -18.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 -15.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -16.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 -17.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 -16.3523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -17.7560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -18.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6859 -19.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 -19.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3256 -18.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 -15.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7054 -14.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -17.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 -12.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -20.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 -20.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2225 -20.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -12.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -13.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 -11.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0142 -17.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5193 -15.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6558 -15.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -15.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5193 -14.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 11 18 1 0 0 0 0 2 19 1 0 0 0 0 6 20 1 0 0 0 0 16 21 3 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 27 30 1 0 0 0 0 25 31 1 1 0 0 0 1 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 33 38 1 0 0 0 0 37 32 1 1 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 36 41 1 1 0 0 0 34 42 1 1 0 0 0 37 43 1 6 0 0 0 36 43 1 6 0 0 0 1 44 2 0 0 0 0 31 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 48 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 54 58 1 0 0 0 0 50 59 1 0 0 0 0 59 60 2 0 0 0 0 56 61 1 0 0 0 0 61 62 2 0 0 0 0 60 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 60 66 1 0 0 0 0 62 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 62 70 1 0 0 0 0 65 71 1 0 0 0 0 71 68 2 0 0 0 0 63 72 1 0 0 0 0 72 73 1 0 0 0 0 64 74 1 0 0 0 0 49 75 1 0 0 0 0 69 76 1 0 0 0 0 76 77 2 0 0 0 0 70 78 1 0 0 0 0 48 79 1 0 0 0 0 53 80 1 0 0 0 0 79 80 1 0 0 0 0 79 81 2 0 0 0 0 57 82 1 6 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 83 86 2 0 0 0 0 58 85 1 1 0 0 0 42 83 1 0 0 0 0 M END > LMPR01070853 > Halocynthiaxanthin 3'-acetate pyropheophorbide A ester > (3S,5R,6S,3'R)-3'-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate]-5,6-Epoxy-3'-ethanoyloxy-3-hydroxy-7',8'-didehydro-5,6,7,8-tetrahydro-beta,beta-caroten-8-one > C75H88N4O7 > 1156.67 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > OTIKLBMPKONKAU-HDCGZMCPSA-N > InChI=1S/C75H88N4O7/c1-18-55-48(8)60-36-62-50(10)57(70(78-62)58-35-66(81)69-51(11)63(79-71(58)69)38-65-56(19-2)49(9)61(77-65)37-64(55)76-60)31-33-68(83)85-54-40-73(15,16)75(74(17,41-54)86-75)42-67(82)46(6)29-23-28-44(4)25-21-20-24-43(3)26-22-27-45(5)30-32-59-47(7)34-53(84-52(12)80)39-72(59,13)14/h18,20-29,36-38,50,53-54,57,76,79H,1,19,31,33-35,39-42H2,2-17H3/b21-20+,26-22+,28-23+,43-24+,44-25+,45-27+,46-29+,60-36-,61-37-,62-36-,63-38-,64-37-,65-38-,70-58-/t50-,53+,54-,57-,74+,75-/m0/s1 > C(=O)(C[C@@]12O[C@]1(C)C[C@@H](OC(=O)CC[C@@H]1C3N=C(C=C4C(C)=C(C=C)C(=CC5=NC(C(CC)=C5C)=CC5NC6C=3CC(=O)C=6C=5C)N4)[C@H]1C)CC2(C)C)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC1=C(C)C[C@@H](OC(=O)C)CC1(C)C > - > - > - > - > - > - > 136731676 > - > - > - > - > - > 37770 > - $$$$