3086464 -OEChem-05102420142D 103105 0 1 0 0 0 0 0999 V2000 0.0000 10.0627 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 8.5511 20.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 14.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1561 19.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0422 16.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7757 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9097 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9702 13.7115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4684 12.3420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4349 15.0810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 13.7115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 16.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 14.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 15.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9355 16.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3974 14.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 13.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2704 15.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3974 12.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5377 14.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2704 11.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6665 11.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5712 12.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3416 17.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6339 14.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6653 15.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 14.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9690 10.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 13.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9678 10.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2381 15.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6988 12.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2715 12.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5111 17.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7427 18.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 12.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7116 14.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3028 14.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5618 9.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3056 12.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2971 10.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 19.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 15.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2262 13.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 9.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0436 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0436 5.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1776 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9097 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8255 17.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9137 17.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0892 15.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2986 15.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 15.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6746 15.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 11.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3505 13.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4603 12.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7013 11.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0181 17.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8680 18.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0041 17.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 18.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1706 18.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 13.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0268 12.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8737 12.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 14.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0469 13.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6783 14.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7962 15.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9273 15.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0624 9.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9293 9.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0611 10.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2299 12.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6909 10.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7213 12.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3019 13.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1882 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2103 8.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2557 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5670 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0436 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1836 20.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 15.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3897 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7882 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6407 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3126 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7145 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 46 1 0 0 0 0 2 93 1 0 0 0 0 3 47 1 0 0 0 0 3 94 1 0 0 0 0 4 46 2 0 0 0 0 5 47 2 0 0 0 0 6 54 1 0 0 0 0 6 99 1 0 0 0 0 7 54 2 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 8 63 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 64 1 0 0 0 0 10 18 2 0 0 0 0 10 22 1 0 0 0 0 11 20 1 0 0 0 0 11 23 2 0 0 0 0 52 12 1 6 0 0 0 12 97 1 0 0 0 0 12 98 1 0 0 0 0 13 53 1 0 0 0 0 13 55 2 0 0 0 0 14 55 1 0 0 0 0 14100 1 0 0 0 0 14101 1 0 0 0 0 15 55 1 0 0 0 0 15102 1 0 0 0 0 15103 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 30 2 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 35 2 0 0 0 0 23 36 1 0 0 0 0 24 31 2 0 0 0 0 24 35 1 0 0 0 0 25 32 1 0 0 0 0 25 37 2 0 0 0 0 26 34 1 0 0 0 0 26 36 2 0 0 0 0 27 33 2 0 0 0 0 27 37 1 0 0 0 0 28 39 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 41 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 33 1 0 0 0 0 31 42 1 0 0 0 0 32 34 2 0 0 0 0 32 43 1 0 0 0 0 33 44 1 0 0 0 0 34 45 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 46 1 0 0 0 0 39 69 1 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 41 47 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 48 2 0 0 0 0 44 82 1 0 0 0 0 45 49 2 0 0 0 0 45 83 1 0 0 0 0 48 84 1 0 0 0 0 48 85 1 0 0 0 0 49 86 1 0 0 0 0 49 87 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 88 1 0 0 0 0 50 89 1 0 0 0 0 51 53 1 0 0 0 0 51 90 1 0 0 0 0 51 91 1 0 0 0 0 52 54 1 0 0 0 0 52 92 1 0 0 0 0 53 95 1 0 0 0 0 53 96 1 0 0 0 0 M CHG 1 1 2 M END > 3086464 > 1 > 1180 > 10 > 8 > 13 > AAADcfB/+AAAAAAgAAAAAAAAAAAAAWLFiwAAAAAAAAAAAAAB/gAAHgAQCAAADCjBngQzyLLJkgCoAyTybACCgCEhAiAImaGwZJgKIHLA0NGEZAhkkADIyAeY2fOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > ferrous;(2S)-2-amino-5-guanidino-pentanoic acid;3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoic acid > (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;iron(2+) > (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;iron(2+) > (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;iron(2+) > (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid;3-[8,13-bis(ethenyl)-18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;iron(2+) > ferrous;(2S)-2-amino-5-guanidino-valeric acid;3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphin-2-yl]propionic acid > InChI=1S/C34H34N4O4.C6H14N4O2.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;7-4(5(11)12)2-1-3-10-6(8)9;/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;;+2/t;4-;/m.0./s1 > MGQITOFVXOEWNL-INZIHYEWSA-N > 792.304617 > C40H48FeN8O6+2 > 792.7 > CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C.C(CC(C(=O)O)N)CN=C(N)N.[Fe+2] > CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C.C(C[C@@H](C(=O)O)N)CN=C(N)N.[Fe+2] > 260 > 792.304617 > 2 > 55 > 1 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 10 18 8 10 22 8 11 20 8 11 23 8 52 12 6 18 30 8 20 30 8 22 35 8 23 36 8 24 31 8 24 35 8 25 32 8 25 37 8 26 34 8 26 36 8 27 33 8 27 37 8 31 33 8 32 34 8 8 24 8 8 27 8 9 25 8 9 26 8 $$$$