LMPR01070196 LIPID_MAPS_STRUCTURE_DATABASE 42 43 0 0 0 999 V2000 8.8941 7.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7605 8.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 7.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4926 8.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 7.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2246 8.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0902 7.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9567 8.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8222 7.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6887 8.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5543 7.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4209 8.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2864 7.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1529 8.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0184 7.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8849 8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7504 7.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6169 8.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4826 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3490 8.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4935 9.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 9.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2855 6.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7496 6.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0285 8.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1621 7.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 6.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0267 6.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8932 6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2146 7.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0810 8.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0820 9.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2163 9.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3498 9.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4843 9.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7587 6.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 9.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7138 6.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 9.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7138 6.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9484 9.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 4 21 1 0 0 0 0 8 22 1 0 0 0 0 13 23 1 0 0 0 0 17 24 1 0 0 0 0 25 1 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 1 1 0 0 0 0 30 20 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 20 34 1 0 0 0 0 34 35 1 0 0 0 0 29 36 1 0 0 0 0 25 37 1 0 0 0 0 30 38 1 0 0 0 0 25 39 1 0 0 0 0 30 40 1 0 0 0 0 27 42 2 0 0 0 0 32 41 1 6 0 0 0 20 19 1 1 0 0 0 1 2 1 1 0 0 0 M END > LMPR01070196 > 3'-Hydroxy-epsilon,epsilon-caroten-3-one > (6R,3'R,6'R)-3'-Hydroxy-epsilon,epsilon-caroten-3-one > C40H54O2 > 566.41 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 3'-OH-epsilon,epsilon-Caroten-3-one; 3-Hydroxy-epsilon,epsilon-caroten-3'-one; (6R,3'R,6'R)-3-Dehydrolactucaxanthin > OTHWKRBAHPOBSP-HXMUPQSBSA-N > InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,37-,38-/m0/s1 > [C@H]1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=C[C@H](O)CC2(C)C)C(C)=CC(=O)CC1(C)C > - > HMDB02020 > - > - > - > - > 14409080 > VCA1114 > - > - > - > - > 8241; 9031 > - $$$$