Mol:BMCCPTFLt003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 1 0 0 0 0 0999 V2000
8.0413 -5.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -7.2097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -7.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 -7.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5054 -7.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3714 -7.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3714 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5054 -5.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 -5.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -7.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 -7.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2375 -7.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2375 -5.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -4.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9073 -3.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0413 -2.7097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0413 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2058 8.1744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8749 7.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5659 6.4802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9187 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2277 7.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 6.6087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 5.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 5.4063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5585 8.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 4.4928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 3.6267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6637 2.8836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5772 3.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4432 2.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -5.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -8.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -4.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 -2.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -3.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 4.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 1.2903 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8092 0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8092 2.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -0.2097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.1753 -0.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1753 -0.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 11 2 0 0 0 0
12 4 1 0 0 0 0
11 12 1 0 0 0 0
11 10 1 0 0 0 0
10 14 1 0 0 0 0
13 5 1 0 0 0 0
5 12 2 0 0 0 0
14 13 2 0 0 0 0
14 9 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
6 13 1 0 0 0 0
2 37 2 0 0 0 0
7 15 1 0 0 0 0
8 16 1 0 0 0 0
4 38 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
20 21 1 0 0 0 0
18 39 1 6 0 0 0
19 40 1 1 0 0 0
20 41 1 6 0 0 0
21 53 1 0 0 0 0
53 50 1 0 0 0 0
50 51 1 0 0 0 0
50 49 1 0 0 0 0
50 52 2 0 0 0 0
49 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 2 0 0 0 0
46 45 1 0 0 0 0
45 36 1 0 0 0 0
35 44 1 6 0 0 0
35 34 1 0 0 0 0
32 44 1 6 0 0 0
34 33 1 0 0 0 0
32 33 1 0 0 0 0
33 42 1 1 0 0 0
34 43 1 1 0 0 0
35 36 1 0 0 0 0
22 27 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
26 27 1 0 0 0 0
26 25 2 0 0 0 0
25 30 1 0 0 0 0
30 29 1 0 0 0 0
29 28 2 0 0 0 0
28 26 1 0 0 0 0
27 31 1 0 0 0 0
32 30 1 0 0 0 0
17 10 1 0 0 0 0
S SKP 7
ID BMCCPTFLt003
NAME FAD
FORMULA C27H33N9O15P2
EXACTMASS 785.1571
AVERAGEMASS 785.5501
SMILES c(c12)(ncn([C@H](O3)[C@@H]([C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]([C@@H](O)[C@@H](O)CN(c65)C(C4=Nc5cc(C)c(C)c6)=NC(=O)NC4=O)O)3)O)O)2)c(ncn1)N
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00016
M END
