LMPR01070762 LIPID_MAPS_STRUCTURE_DATABASE 77 82 0 0 0 999 V2000 6.0271 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7774 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6276 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0783 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9785 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8287 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -11.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 -11.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7289 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5791 -12.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7289 -13.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4292 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2795 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2795 -11.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4292 -10.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5791 -11.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1296 -10.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1296 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3295 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4292 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0298 -11.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8800 -10.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8800 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0298 -9.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4292 -13.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2795 -14.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1296 -13.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9798 -14.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8300 -13.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6802 -14.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5304 -13.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5304 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6802 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8300 -12.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1801 -15.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1803 -15.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4305 -12.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9298 -12.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9798 -13.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2795 -15.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3295 -8.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5791 -9.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7802 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6304 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5306 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3807 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2309 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1311 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9813 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8315 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7316 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5818 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4320 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3807 -10.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8315 -10.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3322 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1824 -9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3322 -10.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7302 -10.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 -13.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5264 -13.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5264 -14.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 -15.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 -14.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 -13.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 -13.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 -12.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -12.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 -15.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 -15.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 -14.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7130 -11.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2953 -13.1228 0.0000 H 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 14 76 1 6 0 0 16 77 1 1 0 0 M END > LMPR01070762 > Pittosporumxanthin C1 > > 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-WQSYGDABSA-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)/[C@@]1([H])OC2C(C)=C(C)C3O[C@](C)(CCC[C@H](C)CCC[C@H](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 > - > - > - > - > - > - > 101864655 > - > Prenol Lipids [PR] > Quinones and hydroquinones [PR02] > Vitamin E [PR0202] > - > 43073 > 18321058 $$$$