Mol:BMCCPPHM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 50 0 0 0 0 0 0 0 0999 V2000 4.4013 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6126 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2347 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2347 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6126 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9232 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9232 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1043 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0988 -3.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 0.8613 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 10.6617 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 22 1 0 0 0 0 21 1 1 0 0 0 0 1 20 1 0 0 0 0 20 19 2 0 0 0 0 19 24 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 24 16 2 0 0 0 0 16 15 1 0 0 0 0 15 14 2 0 0 0 0 14 23 1 0 0 0 0 23 11 1 0 0 0 0 11 10 2 0 0 0 0 10 9 1 0 0 0 0 9 22 2 0 0 0 0 19 18 1 0 0 0 0 18 17 2 0 0 0 0 17 16 1 0 0 0 0 14 13 1 0 0 0 0 13 12 2 0 0 0 0 12 11 1 0 0 0 0 9 8 1 0 0 0 0 8 7 2 0 0 0 0 7 6 1 0 0 0 0 21 41 1 0 0 0 0 41 23 1 0 0 0 0 22 41 1 0 0 0 0 41 24 1 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 7 28 1 0 0 0 0 8 29 1 0 0 0 0 29 30 2 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 33 34 1 0 0 0 0 34 42 2 0 0 0 0 34 35 1 0 0 0 0 17 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 18 40 1 0 0 0 0 S SKP 7 ID BMCCPPHM0002 NAME 4- [7,12-Di(ethenyl) -3,8,13,17-tetramethyl-18- (3-oxobutyl) porphyrin-21,23-diid-2-yl] butan-2-one; iron(5+) FORMULA C36H36FeN4O2 EXACTMASS 612.2187 AVERAGEMASS 612.5418 SMILES C(C(CCC(C)=O)=8)(C=6)=N(C(C8C)=1)[Fe+3](N=43)(n57)n(c2C=C3C(C)=C(C4C=c5c(C)c(CCC(C)=O)c67)C=C)c(c(c(C=C)2)C)C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00995 M END