Mol:BMCCPPHM0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 50 0 0 0 0 0 0 0 0999 V2000 9.2785 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -3.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 0.8613 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 22 1 0 0 0 0 9 8 2 0 0 0 0 8 7 1 0 0 0 0 7 6 2 0 0 0 0 11 10 1 0 0 0 0 10 9 1 0 0 0 0 11 23 1 0 0 0 0 14 13 2 0 0 0 0 13 12 1 0 0 0 0 12 11 2 0 0 0 0 23 14 1 0 0 0 0 16 15 1 0 0 0 0 15 14 1 0 0 0 0 24 19 1 0 0 0 0 19 18 2 0 0 0 0 18 17 1 0 0 0 0 17 16 2 0 0 0 0 21 4 1 0 0 0 0 4 3 2 0 0 0 0 3 2 1 0 0 0 0 2 1 2 0 0 0 0 1 21 1 0 0 0 0 1 20 1 0 0 0 0 19 20 1 0 0 0 0 18 38 1 0 0 0 0 17 35 1 0 0 0 0 35 36 1 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 36 37 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 32 33 1 0 0 0 0 34 41 1 0 0 0 0 34 42 2 0 0 0 0 33 34 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 30 29 2 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 2 0 0 0 0 21 43 1 0 0 0 0 23 43 1 0 0 0 0 22 9 1 0 0 0 0 24 16 1 0 0 0 0 43 24 1 0 0 0 0 43 22 1 0 0 0 0 S SKP 7 ID BMCCPPHM0008 NAME Protoheme FORMULA C34H36FeN4O4 EXACTMASS 620.2085 AVERAGEMASS 620.5192 SMILES C(c67)c(c(C)8)n(c1c8CCC(O)=O)[Fe+2](n57)(n34)n(c(Cc(c(c(C=C)c(Cc(c(c(C=C)6)C)5)4)C)3)2)c(c(c(C)2)CCC(O)=O)C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00032 M END