Mol:BMCCPTFO0016
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 1 0 0 0 0 0999 V2000
3.7321 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 12 1 0 0 0 0
11 1 1 0 0 0 0
12 11 2 0 0 0 0
12 5 1 0 0 0 0
6 5 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 11 1 0 0 0 0
2 13 1 0 0 0 0
4 27 1 0 0 0 0
6 9 1 0 0 0 0
9 10 1 0 0 0 0
10 14 1 0 0 0 0
14 19 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
16 15 2 0 0 0 0
15 14 1 0 0 0 0
20 17 1 0 0 0 0
20 21 1 0 0 0 0
20 28 2 0 0 0 0
23 21 1 0 0 0 0
23 24 1 6 0 0 0
23 22 1 0 0 0 0
22 30 2 0 0 0 0
22 29 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 32 1 0 0 0 0
26 31 2 0 0 0 0
S SKP 7
ID BMCCPTFO0016
NAME Tetrahydro-pteroyl-L-glutamic acid
FORMULA C19H23N7O6
EXACTMASS 445.1709
AVERAGEMASS 445.4295
SMILES c(c21)(NCC(CNc(c3)ccc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)nc(N)nc1O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05237
M END
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