LMPR01070759 LIPID_MAPS_STRUCTURE_DATABASE 76 81 0 0 0 999 V2000 1.2398 -11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 -12.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -13.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -12.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 -11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 -11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1976 -11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 -11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9325 -11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6675 -11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5350 -11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -10.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -10.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 -13.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 -10.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 -10.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 -13.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4079 -11.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2705 -11.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4077 -12.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1155 -11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9824 -11.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9824 -10.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1374 -9.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2705 -10.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8493 -9.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8493 -8.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0043 -8.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1374 -8.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7162 -10.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5830 -9.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5830 -8.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7162 -8.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1155 -12.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9698 -13.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8184 -12.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6703 -13.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5207 -12.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3717 -13.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2386 -12.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2387 -11.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3878 -11.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5209 -11.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8712 -14.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8721 -14.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1149 -11.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6382 -11.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6539 -12.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9699 -14.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0044 -7.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2743 -8.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4691 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3360 -8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2029 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0697 -8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9366 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8034 -8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6703 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5372 -8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4041 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2710 -8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1378 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0697 -9.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5372 -9.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0223 -8.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8863 -8.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0220 -9.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4499 -9.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4045 -10.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9815 -12.2331 0.0000 H 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 2 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 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 15 16 2 0 0 0 16 17 1 0 0 0 6 18 1 0 0 0 6 19 1 0 0 0 4 20 1 0 0 0 9 21 1 0 0 0 13 22 1 0 0 0 2 23 1 1 0 0 17 24 2 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 25 31 1 0 0 0 29 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 30 35 1 0 0 0 32 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 33 39 1 0 0 0 27 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 44 43 1 1 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 44 49 1 0 0 0 45 50 1 0 0 0 45 51 1 0 0 0 47 52 1 1 0 0 49 53 1 1 0 0 49 54 1 6 0 0 44 54 1 6 0 0 41 55 1 0 0 0 34 56 1 0 0 0 35 57 1 0 0 0 38 58 1 6 0 0 58 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 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 61 69 1 1 0 0 65 70 1 1 0 0 68 71 1 0 0 0 71 72 1 0 0 0 71 73 1 0 0 0 38 74 1 1 0 0 25 75 1 6 0 0 27 76 1 1 0 0 M END > LMPR01070759 > Pittosporumxanthin B1 > > C69H104O5 > 1012.79 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > (11,12)-Addition product of (3S,5R,6S,3'R)-5,6-epoxy-5,6-dihydro-beta,beta-carotene-3,3'-diol and alpha-tocopherol > QTZBDYXGGHNDAL-GDBPAQQZSA-N > InChI=1S/C69H104O5/c1-46(2)24-20-26-48(4)28-21-29-49(5)31-23-37-67(16)38-36-59-60-42-56(40-51(7)35-39-69-66(14,15)44-58(71)45-68(69,17)74-69)62(72-63(60)54(10)55(11)64(59)73-67)52(8)32-19-18-25-47(3)27-22-30-50(6)33-34-61-53(9)41-57(70)43-65(61,12)13/h18-19,22,25,27,30,32-35,39-40,46,48-49,56-58,62,70-71H,20-21,23-24,26,28-29,31,36-38,41-45H2,1-17H3/b19-18+,27-22+,34-33+,39-35+,47-25+,50-30+,51-40-,52-32+/t48-,49-,56+,57-,58+,62-,67-,68-,69+/m1/s1 > C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/[C@@]2([H])OC3C(C)=C(C)C4O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC=4C=3C[C@]2([H])/C=C(/C)\C=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)=C(C)C[C@H]1O > - > - > - > - > - > - > 101864654 > - > Prenol Lipids [PR] > Quinones and hydroquinones [PR02] > Vitamin E [PR0202] > - > 43073 > 18321058 $$$$