LMPR01070757 LIPID_MAPS_STRUCTURE_DATABASE 77 83 0 0 0 999 V2000 24.2328 -15.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0840 -16.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9351 -15.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9351 -14.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0840 -14.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2328 -14.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7863 -14.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7863 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9852 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0840 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6875 -14.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5387 -14.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5387 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6875 -12.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0840 -17.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9351 -17.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7863 -17.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6374 -17.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4886 -17.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3397 -17.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1909 -17.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1909 -16.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3397 -15.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4886 -16.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8391 -18.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8404 -18.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0921 -15.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5874 -15.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6374 -16.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9351 -18.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9852 -11.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2328 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4399 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2910 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1923 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0434 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8946 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7958 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6469 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4981 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3993 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2505 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1016 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0434 -14.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4981 -14.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0028 -13.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8540 -12.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0028 -14.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3898 -13.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3817 -15.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9351 -16.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7199 -10.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7199 -11.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6212 -11.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4723 -11.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4723 -10.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6212 -9.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3735 -9.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2247 -10.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0758 -9.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1205 -8.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1218 -8.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3735 -11.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0758 -8.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8688 -11.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3235 -10.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9270 -10.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9270 -11.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7781 -11.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7781 -12.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6794 -13.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6794 -14.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5305 -14.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5305 -15.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9270 -13.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3817 -16.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3817 -17.3235 0.0000 C 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 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 8 14 1 0 0 0 2 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 19 18 1 6 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 19 24 1 0 0 0 20 25 1 0 0 0 20 26 1 0 0 0 22 27 1 6 0 0 24 28 1 6 0 0 24 29 1 1 0 0 19 29 1 1 0 0 16 30 1 0 0 0 9 31 1 0 0 0 10 32 1 0 0 0 13 33 1 6 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 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 36 44 1 0 0 0 40 45 1 0 0 0 43 46 1 0 0 0 46 47 1 0 0 0 46 48 1 0 0 0 13 49 1 1 0 0 1 50 1 1 0 0 2 51 1 6 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 52 57 1 0 0 0 56 58 1 1 0 0 58 59 2 0 0 0 59 60 1 0 0 0 57 61 1 0 0 0 57 62 1 0 0 0 55 63 1 1 0 0 60 64 1 0 0 0 53 65 1 1 0 0 56 66 1 6 0 0 55 66 1 6 0 0 60 67 2 0 0 0 67 68 1 0 0 0 68 69 2 0 0 0 69 70 1 0 0 0 70 71 2 0 0 0 71 72 1 0 0 0 72 73 2 0 0 0 73 74 1 0 0 0 70 75 1 0 0 0 74 76 2 0 0 0 76 77 1 0 0 0 76 1 1 0 0 0 M END > LMPR01070757 > Pittosporumxanthin A4 > > C69H104O6 > 1028.78 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > (11',12')-Addition product of (3S,5R,6S,3'S,5'R,6'S)-5,6:5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-triol and alpha-tocopherol > QDELACDYEWPQLV-RNYFTQHRSA-N > InChI=1S/C69H104O6/c1-46(2)24-20-26-48(4)28-21-29-49(5)31-23-36-65(15)37-35-58-59-41-55(40-51(7)34-39-69-64(13,14)43-57(71)45-67(69,17)75-69)60(72-61(59)53(9)54(10)62(58)73-65)52(8)32-19-18-25-47(3)27-22-30-50(6)33-38-68-63(11,12)42-56(70)44-66(68,16)74-68/h18-19,22,25,27,30,32-34,38-40,46,48-49,55-57,60,70-71H,20-21,23-24,26,28-29,31,35-37,41-45H2,1-17H3/b19-18+,27-22+,38-33+,39-34+,47-25+,50-30-,51-40-,52-32-/t48?,49?,55-,56+,57-,60+,65-,66-,67+,68+,69-/m1/s1 > [C@@]1(/C(/C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)([H])OC2C(C)=C(C)C3O[C@](C)(CCCC(C)CCCC(C)CCCC(C)C)CCC=3C=2C[C@@]1([H])/C=C(/C)\C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C > - > - > - > - > - > - > 162936859 > - > Prenol Lipids [PR] > Quinones and hydroquinones [PR02] > Vitamin E [PR0202] > - > 43073 > 18321058 $$$$