LMPR01080033 LIPID_MAPS_STRUCTURE_DATABASE 54 53 0 0 0 999 V2000 11.3192 -12.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3700 -12.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4696 -12.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 -12.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7903 -12.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 -12.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3870 -11.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 -11.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 -12.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 -13.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9161 -14.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9241 -15.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7894 -15.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0852 -15.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 -11.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 -16.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1764 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0755 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9248 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6732 -12.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5223 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3716 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2708 -12.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1200 -12.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9192 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8185 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6677 -12.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5169 -12.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3662 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2653 -12.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1146 -12.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9638 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9248 -13.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3717 -13.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6677 -11.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1146 -11.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8131 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7123 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5614 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3608 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2599 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1092 -12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9584 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8576 -12.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5614 -11.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9583 -11.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1591 -13.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0082 -14.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0083 -15.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1092 -15.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8576 -15.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8576 -11.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0083 -16.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 5 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 6 15 1 0 0 0 0 12 16 1 0 0 0 0 1 17 1 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 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 19 34 1 0 0 0 0 23 35 1 0 0 0 0 28 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 40 46 1 0 0 0 0 44 47 1 0 0 0 0 43 48 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 44 53 1 0 0 0 0 50 54 1 0 0 0 0 17 18 2 0 0 0 0 M END > LMPR01080033 > (5Z)-Bacterioruberin > (5Z,2S,2'S)-2,2'-Bis-(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetrahydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol > C50H76O4 > 740.57 > Prenol Lipids [PR] > Isoprenoids [PR01] > Polyterpenes [PR0108] > - > > UVCQMCCIAHQDAF-CWYPKRLBSA-N > InChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,33-31+,34-32+,39-21+,40-22+,41-25+,42-26+,43-29-,44-30+/t45-,46-/m1/s1 > 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@H](CCC(O)(C)C)C(C)(O)C)=C(\C)/C=C/[C@H](CCC(O)(C)C)C(C)(C)O > - > - > - > - > - > - > 15677168 > - > - > - > - > - > 1275 > - $$$$