LMPR01070966 LIPID_MAPS_STRUCTURE_DATABASE 43 44 0 0 0 999 V2000 2.6423 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 -9.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -9.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 -9.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2571 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9885 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7199 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5854 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4511 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3168 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1823 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0481 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9137 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7794 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6450 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5106 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3763 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2420 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 -7.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0078 -7.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2525 -9.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1028 -7.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9539 -8.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8029 -7.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6528 -8.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5185 -7.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5186 -6.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6686 -6.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8029 -6.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1530 -9.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1526 -9.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9216 -6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2420 -9.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7794 -9.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9885 -6.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4511 -6.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -9.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8381 -7.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3843 -6.4819 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 4 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 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 28 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 33 36 2 0 0 0 0 22 37 1 0 0 0 0 18 38 1 0 0 0 0 9 39 1 0 0 0 0 13 40 1 0 0 0 0 2 41 1 1 0 0 0 28 42 1 6 0 0 0 31 43 1 1 0 0 0 M END > LMPR01070966 > Prenigroxanthin > (all-E,3R,3'S,6'S)-beta,gamma-carotene-3,3',6'-tirol > C40H56O3 > 584.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > DARXCJZXRPHHRN-SUXHJEBNSA-N > InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,35-36,41-43H,6,25-28H2,1-5,7-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40-/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@@]2(O)C(=C)C[C@@H](O)CC2(C)C)=C(C)C[C@H]1O > - > - > - > - > - > - > 102376152 > - > - > - > - > - > 4072 > - $$$$