LMPR01070031 LIPID_MAPS_STRUCTURE_DATABASE 42 43 0 0 0 0 0 0 0 0999 V2000 7.5909 7.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 6.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 6.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3229 7.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 8.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9499 9.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9499 9.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1864 8.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0549 7.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9184 8.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7869 7.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6504 8.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5190 7.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3824 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2510 7.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1144 8.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9830 7.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8464 8.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7150 7.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5785 8.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4470 7.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3105 8.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1791 7.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0425 8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9111 7.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7745 8.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9132 9.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3772 9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7202 6.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1842 6.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6431 7.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5066 8.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5014 9.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6329 9.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7694 9.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1476 7.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1476 7.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9009 9.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3649 9.9717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 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 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 5 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 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 27 1 6 0 0 0 12 29 1 0 0 0 0 16 30 1 0 0 0 0 21 31 1 0 0 0 0 25 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 28 37 1 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 37 40 1 0 0 0 0 2 41 1 1 0 0 0 35 42 1 1 0 0 0 M END > LMPR01070031 > Lutein D > (3R,3'S,6'S)-beta,epsilon-Carotene-3,3'-diol > C40H56O2 > 568.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 3',6'-Diepilutein > KBPHJBAIARWVSC-GYCOYQKKSA-N > InChI=1S/C40H56O2/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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/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@@H]2C(C)=C[C@@H](O)CC2(C)C)=C(C)C[C@H]1O > - > - > - > - > - > - > 16061196 > VCA0029 > - > - > - > - > 177060 > 3769462 $$$$