Mol:BMCCPPPR0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 60 64 0 0 0 0 0 0 0 0999 V2000 10.6281 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5499 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 -2.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0459 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 -2.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 -3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1578 -3.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2529 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 0.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2529 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 1.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8525 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9725 2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4330 0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4330 -1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 -2.7384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 0.6102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0459 1.9973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5223 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8063 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6085 -3.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6081 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1306 -3.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5113 -4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4701 -5.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 -3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -4.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 2.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 3.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6190 4.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3444 4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1110 5.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8252 3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7040 2.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 4.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 -6.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 -1.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 -1.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1954 -4.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7035 -6.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1179 0.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7787 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6535 -4.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1303 -3.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 6.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8363 6.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7302 1.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5566 3.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 22 1 0 0 0 0 34 48 2 0 0 0 0 38 39 1 0 0 0 0 12 35 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 22 6 1 0 0 0 0 13 14 2 0 0 0 0 43 44 1 0 0 0 0 35 36 1 0 0 0 0 23 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 14 23 1 0 0 0 0 39 45 1 0 0 0 0 11 10 1 0 0 0 0 10 9 1 0 0 0 0 36 49 1 0 0 0 0 6 5 1 0 0 0 0 5 4 1 0 0 0 0 1 21 1 0 0 0 0 36 50 2 0 0 0 0 39 46 2 0 0 0 0 18 43 1 0 0 0 0 7 30 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 21 4 1 0 0 0 0 17 16 2 0 0 0 0 30 31 1 0 0 0 0 8 32 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 16 24 1 0 0 0 0 31 51 1 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 13 37 1 0 0 0 0 16 15 1 0 0 0 0 31 52 2 0 0 0 0 15 14 1 0 0 0 0 32 33 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 17 40 1 0 0 0 0 26 53 1 0 0 0 0 33 34 1 0 0 0 0 26 54 2 0 0 0 0 40 41 1 0 0 0 0 3 27 1 0 0 0 0 37 38 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 34 47 1 0 0 0 0 29 55 1 0 0 0 0 29 56 2 0 0 0 0 41 42 1 0 0 0 0 42 57 2 0 0 0 0 42 58 1 0 0 0 0 44 59 2 0 0 0 0 44 60 1 0 0 0 0 S SKP 7 ID BMCCPPPR0009 NAME Uroporphyrinogen III FORMULA C40H44N4O16 EXACTMASS 836.2752 AVERAGEMASS 836.7947 SMILES OC(=O)Cc(c1CCC(O)=O)c(C4)nc1Cc(n2)c(c(CCC(O)=O)c2Cc(n3)c(CC(O)=O)c(CCC(O)=O)c3Cc(c5CCC(O)=O)nc4c5CC(O)=O)CC(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01051 M END