444522 -OEChem-03292406452D 77 80 0 0 0 0 0 0 0999 V2000 8.8575 -1.1532 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 7.9909 5.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5959 4.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 -0.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8626 0.2103 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.8953 -2.4628 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.4280 -1.1262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3609 -1.1262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3741 1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0799 0.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3512 1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 -3.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1126 -3.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7814 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1356 0.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 -0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3839 -3.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4067 -3.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6223 0.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9148 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 -1.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8608 -1.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9475 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8608 -0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6550 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9268 2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1339 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1825 3.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6593 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9766 -4.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 -2.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6565 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8181 -4.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5799 -1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 4.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2239 -5.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2652 2.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3534 2.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6936 1.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0389 1.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -3.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0932 -3.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 2.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 3.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4198 2.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5893 0.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 0.4893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6986 3.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6105 3.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2057 -2.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9968 -2.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4773 -5.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3442 -5.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4760 -4.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 -1.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 -2.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5092 -2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0320 -0.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1499 0.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2810 0.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 -0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -0.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2015 -4.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8220 -2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1506 -1.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3377 -1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 -6.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8404 -5.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6235 5.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 41 1 0 0 0 0 2 76 1 0 0 0 0 3 41 2 0 0 0 0 4 42 1 0 0 0 0 4 77 1 0 0 0 0 5 42 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 18 2 0 0 0 0 8 25 1 0 0 0 0 9 23 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 13 31 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 29 1 0 0 0 0 16 33 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 24 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 29 2 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 26 34 1 0 0 0 0 27 30 2 0 0 0 0 28 37 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 38 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 41 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 40 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 42 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 39 43 2 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 M CHG 3 1 2 6 -1 7 -1 M END > 444522 > 1 > 1550 > 8 > 2 > 8 > AAADcfB/uAAAAAAgAAAAAAAAAAAAAWIECAAAAAAAAAAAAACBgAAAHgAACAAADAiBngACiJIIEgCoAyTyTACCgCAhAiAImCEwRJgIIHLAkJGEQAhkgADIyAeYWQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > ferrous;3-[18-(2-carboxyethyl)-8-ethyl-3,7,12,17-tetramethyl-13-vinyl-porphyrin-21,23-diid-2-yl]propanoic acid > 3-[18-(2-carboxyethyl)-13-ethenyl-8-ethyl-3,7,12,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid;iron(2+) > 3-[18-(2-carboxyethyl)-13-ethenyl-8-ethyl-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+) > 3-[18-(2-carboxyethyl)-13-ethenyl-8-ethyl-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+) > 3-[13-ethenyl-8-ethyl-18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid;iron(2+) > ferrous;3-[18-(2-carboxyethyl)-8-ethyl-3,7,12,17-tetramethyl-13-vinyl-porphine-21,23-diid-2-yl]propionic acid > InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2 > NEGHHAJBRZGUAY-UHFFFAOYSA-L > 618.192941 > C34H34FeN4O4 > 618.5 > CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C.[Fe+2] > CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C.[Fe+2] > 101 > 618.192941 > 0 > 43 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 6 6 1 7 6 > 1 5 255 > 10 11 8 10 13 8 11 17 8 12 13 8 12 22 8 14 20 8 14 30 8 15 21 8 15 29 8 17 18 8 20 21 8 22 23 8 25 29 8 27 30 8 6 11 8 6 12 8 7 14 8 7 15 8 8 18 8 8 25 8 9 23 8 9 27 8 $$$$