LMPR01070761 LIPID_MAPS_STRUCTURE_DATABASE 75 80 0 0 0 999 V2000 5.4771 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3273 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2275 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9279 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8281 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6783 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5284 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4286 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2788 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3273 -11.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8281 -11.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1790 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0292 -12.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1790 -14.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8794 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7296 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7296 -11.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8794 -11.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0292 -11.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5797 -11.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5797 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7796 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8794 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4799 -11.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3301 -11.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3301 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4799 -9.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8794 -14.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7296 -14.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5797 -14.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4299 -14.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2801 -14.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1303 -14.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9805 -14.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9805 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1303 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2801 -13.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6302 -15.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6304 -15.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8807 -12.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3799 -12.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4299 -13.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7296 -15.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7796 -8.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0292 -9.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2303 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0805 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9807 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8309 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6811 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5812 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4314 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2816 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1818 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0320 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8822 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8309 -11.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2816 -11.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7824 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6325 -9.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7824 -11.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1803 -10.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -13.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 -14.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 -15.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8766 -15.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7268 -15.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7268 -14.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8766 -13.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 -12.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 -12.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -15.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 -15.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -14.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 2 11 1 0 0 0 6 12 1 0 0 0 10 13 2 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 14 20 1 0 0 0 18 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 19 24 1 0 0 0 21 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 22 28 1 0 0 0 16 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 33 32 1 1 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 33 38 1 0 0 0 34 39 1 0 0 0 34 40 1 0 0 0 36 41 1 1 0 0 38 42 1 1 0 0 38 43 1 6 0 0 33 43 1 6 0 0 30 44 1 0 0 0 23 45 1 0 0 0 24 46 1 0 0 0 27 47 1 6 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 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 50 58 1 1 0 0 54 59 1 1 0 0 57 60 1 0 0 0 60 61 1 0 0 0 60 62 1 0 0 0 27 63 1 1 0 0 1 64 2 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 65 70 1 0 0 0 69 64 2 0 0 0 70 71 1 0 0 0 70 72 1 0 0 0 68 73 1 1 0 0 66 74 1 1 0 0 68 75 1 6 0 0 M END > LMPR01070761 > Pittosporumxanthin C > > C69H104O6 > 1028.78 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > (11',12')-Addition product of (3S,5R,6R,3'S,5'R,6'S)-5',6'-Epoxy-6,7-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3'-triol and alpha-tocopherol > VRWPVBPKEBIXMP-JADIBCITSA-N > InChI=1S/C69H104O6/c1-46(2)24-20-26-48(4)28-21-29-49(5)31-23-37-66(15)38-36-58-59-41-55(40-51(7)35-39-69-65(13,14)43-57(71)45-68(69,17)75-69)61(73-62(59)53(9)54(10)63(58)74-66)52(8)32-19-18-25-47(3)27-22-30-50(6)33-34-60-64(11,12)42-56(70)44-67(60,16)72/h18-19,22,25,27,30,32-33,35,39-40,46,48-49,55-57,61,70-72H,20-21,23-24,26,28-29,31,36-38,41-45H2,1-17H3/b19-18+,27-22+,39-35+,47-25+,50-30+,51-40-,52-32+/t34?,48-,49-,55?,56+,57+,61?,66-,67-,68-,69+/m1/s1 > C(=C=C1C(C)(C)C[C@H](O)C[C@]1(O)C)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C1OC2C(C)=C(C)C3O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC=3C=2CC1/C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C > - > - > - > - > - > - > 162873847 > - > Prenol Lipids [PR] > Quinones and hydroquinones [PR02] > Vitamin E [PR0202] > - > 43073 > - $$$$