Marvin 03020712352D 48 52 0 0 0 0 999 V2000 -1.6487 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8388 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 2.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 3.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 -2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 -3.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2651 4.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 3.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 4.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 2.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 0.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 -4.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -4.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -4.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8388 -1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 -1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4326 -2.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2191 -1.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6316 -0.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 13 2 0 0 0 0 14 13 1 0 0 0 0 30 12 1 0 0 0 0 20 12 1 0 0 0 0 21 14 2 0 0 0 0 33 14 1 0 0 0 0 10 20 1 0 0 0 0 11 30 2 0 0 0 0 10 11 1 0 0 0 0 9 10 2 0 0 0 0 8 9 1 0 0 0 0 19 8 2 0 0 0 0 27 8 1 0 0 0 0 6 19 1 0 0 0 0 7 27 2 0 0 0 0 7 6 1 0 0 0 0 5 6 2 0 0 0 0 4 5 1 0 0 0 0 18 4 1 0 0 0 0 3 4 2 0 0 0 0 1 18 1 0 0 0 0 2 1 2 0 0 0 0 17 1 1 0 0 0 0 3 2 1 0 0 0 0 16 17 2 0 0 0 0 21 16 1 0 0 0 0 15 16 1 0 0 0 0 15 33 2 0 0 0 0 2 22 1 0 0 0 0 7 23 1 0 0 0 0 11 24 1 0 0 0 0 15 44 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 42 1 0 0 0 0 33 34 1 0 0 0 0 36 35 2 0 0 0 0 36 37 1 0 0 0 0 39 38 2 0 0 0 0 39 40 1 0 0 0 0 42 41 2 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 45 47 1 0 0 0 0 47 46 2 0 0 0 0 47 48 1 0 0 0 0 M END > CHEBI:28421 > coproporphyrin I > 3 > CHEBI:3876; CHEBI:23383 > Coproporphyrin I; 3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrapropanoic acid > C36H38N4O8 > 654.70908 > 654.26896 > 0 > Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(O)=O)c5C)c(CCC(O)=O)c4C)c(CCC(O)=O)c3C > InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15- > VORBHEGMEBOMMB-JRHDEHKPSA-N > DB03727 > C05769 $$$$