LMPR01070948 LIPID_MAPS_STRUCTURE_DATABASE 49 50 0 0 0 999 V2000 19.9911 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8002 -11.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6600 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5196 -11.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5196 -10.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6600 -9.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8002 -10.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1542 -12.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1657 -12.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9406 -9.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3794 -9.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 -12.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 -13.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -14.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -13.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -12.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -12.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 -12.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -11.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 -11.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -14.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0842 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6633 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5230 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4334 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2929 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1527 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0123 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8721 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7318 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5915 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4512 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3615 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2212 -11.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0808 -11.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2212 -12.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7318 -12.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -10.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4334 -10.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9349 -10.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0808 -10.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -14.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 -13.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -9.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8331 -8.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6859 -8.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9549 -8.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 7 10 1 0 0 0 5 11 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 12 17 1 0 0 0 16 18 2 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 13 21 1 1 0 0 22 23 1 1 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 32 39 1 0 0 0 23 40 1 0 0 0 27 41 1 0 0 0 18 22 2 0 0 0 37 1 1 0 0 0 2 42 1 6 0 0 37 43 2 0 0 0 15 44 1 1 0 0 15 45 1 6 0 0 40 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 47 49 2 0 0 0 M END > LMPR01070948 > Muricellaxanthin > (3S,5R,6R,6'S)-19-Ethanoyloxy-3,5,6'-trihydroxy-6,7-didehydro-5,6,7',8'-tetrahydro-beta,epsilon-carotene-3',8'-dione > C42H56O7 > 672.40 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > QNSKAMRZYAIYJY-TXWUGDAESA-N > InChI=1S/C42H56O7/c1-29(17-13-19-31(3)37(46)27-42(48)32(4)23-35(44)25-40(42,8)9)15-11-12-16-30(2)18-14-20-34(28-49-33(5)43)21-22-38-39(6,7)24-36(45)26-41(38,10)47/h11-21,23,36,45,47-48H,24-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,34-20-/t22-,36-,41+,42+/m0/s1 > C(C(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\COC(=O)C)/C=[C@]=C1C(C)(C)C[C@H](O)C[C@]1(O)C)[C@@]1(O)C(C)=CC(=O)CC1(C)C > - > - > - > - > - > - > 163057409 > - > - > - > - > - > 2631687 > - $$$$