Marvin 09110610392D 45 48 0 0 0 0 999 V2000 -1.8645 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 -1.4462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1195 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9041 -2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 0.1464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 1.3024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0459 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4264 0.6893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2469 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5824 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8646 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.4462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1195 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -2.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -3.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -3.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -5.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -4.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -5.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 0.6893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2469 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 1.3024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0460 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 2.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 1.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 -0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 -0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -3.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 -3.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 -5.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 -4.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -5.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 -0.0251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8389 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.0251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8390 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35 1 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 6 2 2 0 0 0 0 3 2 1 0 0 0 0 2 26 1 0 0 0 0 4 6 1 0 0 0 0 4 5 1 0 0 0 0 6 37 1 0 0 0 0 14 7 2 0 0 0 0 7 8 1 0 0 0 0 9 7 1 0 0 0 0 42 35 1 0 0 0 0 8 42 1 0 0 0 0 11 42 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 1 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 15 26 1 0 0 0 0 17 15 1 0 0 0 0 20 15 2 0 0 0 0 36 16 1 0 0 0 0 17 16 1 0 0 0 0 18 16 2 0 0 0 0 18 20 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 24 23 2 0 0 0 0 24 25 1 0 0 0 0 44 32 1 0 0 0 0 27 44 1 0 0 0 0 36 44 1 0 0 0 0 29 27 1 0 0 0 0 27 28 1 1 0 0 0 29 33 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 37 38 1 0 0 0 0 38 40 1 0 0 0 0 40 39 2 0 0 0 0 40 41 1 0 0 0 0 42 43 1 6 0 0 0 44 45 1 1 0 0 0 M END > CHEBI:6320 > (-)-stercobilinogen > 3 > Stercobilinogen; L-Stercobilinogen; (2R,3R,4S,16S,17R,18R)-2,17-diethyl-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid > (2R,3R,4S,16S,17R,18R)-2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-21H-biline-8,12-dipropanoic acid; (2R,3R,4S,16S,17R,18R)-10,23-dihydrostercobilin > C33H48N4O6 > 596.75758 > 596.35739 > 0 > [H][C@@]1(Cc2[nH]c(Cc3[nH]c(C[C@]4([H])NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[C@H](CC)[C@H]1C > InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1 > VKGRRZVYCXLHII-OLFWPHQKSA-N > 17095-63-5 > 17095-63-5 > C05789 $$$$