LMPR01070587 LIPID_MAPS_STRUCTURE_DATABASE 44 44 0 0 0 999 V2000 9.5013 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5013 -16.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 -16.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 -16.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8533 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7037 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6041 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4544 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3048 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2051 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0555 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9058 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8062 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6566 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5070 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4073 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2577 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1081 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8515 -13.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 -13.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 -16.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0084 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8589 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1081 -16.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6566 -16.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8533 -13.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3048 -13.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7091 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6097 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4599 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6097 -16.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3103 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1607 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0110 -15.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8614 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0110 -16.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7333 -15.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8532 -13.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5934 -14.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6262 -16.6770 0.0000 O 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 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 6 23 1 0 0 0 6 24 1 0 0 0 4 25 1 0 0 0 22 26 1 0 0 0 26 27 2 0 0 0 22 28 1 0 0 0 18 29 1 0 0 0 9 30 1 0 0 0 13 31 1 0 0 0 27 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 34 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 39 42 2 0 0 0 41 43 1 0 0 0 2 44 1 1 0 0 M END > LMPR01070587 > Torularhodin methyl ester > Methyl 3',4'-didehydro-beta,psi-caroten-16'-oate > C41H54O3 > 594.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > YEWLELSMUHRXKD-SFCQWOQXSA-N > InChI=1S/C41H54O3/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-26-36(6)40(43)44-10)17-11-12-18-32(2)20-15-24-35(5)27-28-39-37(7)29-38(42)30-41(39,8)9/h11-28,38,42H,29-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,28-27+,31-17+,32-18+,33-21+,34-23+,35-24+,36-26+/t38-/m1/s1 > C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)OC)=C(C)C[C@H]1O > - > - > - > - > - > - > 163057294 > - > - > - > - > - > 235511 > - $$$$