Mol:BMCCPPCL0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 53 0 0 1 0 0 0 0 0999 V2000 7.1238 1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 -0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 -1.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 -1.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 -0.5087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4451 0.2049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1238 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 0.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7012 -0.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 -1.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 -0.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6285 -2.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0048 -2.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7566 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2391 3.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 -1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -3.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0288 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 -1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 -3.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 -3.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -3.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -1.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -2.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 -0.1519 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 22 6 1 0 0 0 0 6 5 2 0 0 0 0 9 10 1 0 0 0 0 9 22 2 0 0 0 0 23 11 1 0 0 0 0 11 10 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 1 21 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 6 7 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 14 13 1 0 0 0 0 16 17 1 0 0 0 0 19 18 1 0 0 0 0 1 2 2 0 0 0 0 4 3 2 0 0 0 0 8 7 2 0 0 0 0 12 13 2 0 0 0 0 17 18 1 0 0 0 0 2 3 1 0 0 0 0 26 15 1 6 0 0 0 13 25 1 0 0 0 0 26 25 1 0 0 0 0 25 40 2 0 0 0 0 34 41 1 0 0 0 0 34 42 2 0 0 0 0 26 34 1 0 0 0 0 41 39 1 0 0 0 0 17 35 1 1 0 0 0 35 36 1 0 0 0 0 37 43 1 0 0 0 0 37 44 2 0 0 0 0 36 37 1 0 0 0 0 18 38 1 6 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 28 29 2 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 31 32 1 0 0 0 0 12 33 1 0 0 0 0 45 24 1 0 0 0 0 45 22 1 0 0 0 0 45 21 1 0 0 0 0 45 23 1 0 0 0 0 S SKP 7 ID BMCCPPCL0001 NAME Chlorophyllide a FORMULA C35H34MgN4O5 EXACTMASS 614.2379 AVERAGEMASS 614.9734 SMILES C(O)(=O)CC[C@H](C2=1)[C@H](C)C(=C8)N1[Mg](N=56)(n79)n(c(=CC5C(CC)=C(C)C6=Cc7c(c(C)c89)C=C)4)c(c3c4C)=C2[C@H](C3=O)C(OC)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02139 M END
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