71300851 -OEChem-03282404202D 35 30 0 1 0 0 0 0 0999 V2000 2.0984 3.6039 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 4.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 4.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 1.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 5.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 0.5123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1645 6.6955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 1.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5984 5.7945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5984 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 5.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 2.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 5.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 5.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 2.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 3.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 4.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 4.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 3.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 1.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 5.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 0.8088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 6.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 6.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6506 0.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 7.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 6.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 2.1039 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 6.1968 4.6039 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 16 2 0 0 0 0 7 17 2 0 0 0 0 8 18 2 0 0 0 0 9 19 2 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M CHG 2 34 1 35 1 M END > 71300851 > 1 > 303 > 10 > 8 > 0 > AAADceBzPAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAABIkAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAQAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-aminobutanedioic acid;hydron;iron > 2-aminobutanedioic acid;hydron;iron > 2-aminobutanedioic acid;hydron;iron > 2-aminobutanedioic acid;hydron;iron > 2-azanylbutanedioic acid;hydron;iron > 2-aminosuccinic acid;hydron;iron > InChI=1S/2C4H7NO4.Fe/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/p+2 > VGFLQDXRIDQEPQ-UHFFFAOYSA-P > 324.025601 > C8H16FeN2O8+2 > 324.07 > [H+].[H+].C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)O.[Fe] > [H+].[H+].C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)O.[Fe] > 201 > 324.025601 > 2 > 19 > 0 > 2 > 0 > 0 > 0 > 5 > 105 > 1 2 6 1 3 6 1 4 6 1 5 6 > 1 5 255 > 12 10 3 13 11 3 $$$$