Mol:BMCCPTFLe002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 55 0 0 1 0 0 0 0 0999 V2000
6.9478 -2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9478 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2334 -2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5097 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7810 -1.2731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5097 -2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0706 -1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3129 -1.2704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5794 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5910 -2.5467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3303 -2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0580 -2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2238 -1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3122 -3.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8619 -1.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8145 0.0790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8212 0.9023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8212 1.7273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8212 2.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9895 0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9962 0.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9962 1.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1068 2.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2859 2.9648 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.4609 2.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2859 2.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2900 3.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7504 2.5476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0330 2.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0270 3.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2479 2.9373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9548 2.4909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6851 2.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1129 2.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9934 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6925 1.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2620 1.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1454 3.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0932 2.3048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8035 1.8877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.5209 2.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2324 1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9498 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6612 1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9558 3.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7975 1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5102 0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0786 0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6612 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7565 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5178 -0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 2 2 0 0 0 0
2 14 1 0 0 0 0
7 3 2 0 0 0 0
4 7 1 0 0 0 0
4 5 1 0 0 0 0
5 8 1 0 0 0 0
13 6 2 0 0 0 0
6 7 1 0 0 0 0
8 13 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
4 14 2 0 0 0 0
12 15 2 0 0 0 0
10 16 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
17 21 1 4 0 0 0
18 22 1 4 0 0 0
19 23 1 4 0 0 0
20 24 1 0 0 0 0
25 24 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
25 28 1 0 0 0 0
26 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
36 40 2 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
48 49 1 0 0 0 0
48 50 2 0 0 0 0
42 48 1 6 0 0 0
2 51 1 0 0 0 0
29 52 1 1 0 0 0
36 41 1 0 0 0 0
5 53 1 0 0 0 0
53 17 1 0 0 0 0
33 37 1 6 0 0 0
S SKP 7
ID BMCCPTFLe002
NAME Coenzyme F420
FORMULA C29H36N5O18P
EXACTMASS 773.1792
AVERAGEMASS 773.5928
SMILES P(O)(=O)(O[C@H](C(N[C@@H](CCC(N[C@H](C(O)=O)CCC(O)=O)=O)C(O)=O)=O)C)OCC(C(O)C(CN(C1=2)c(c3)c(ccc(O)3)C=C(C(NC(=O)N2)=O)1)O)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00876
M END
