Mol:BMAXS4ANt002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 8 1 4 0 0 0
4 3 1 0 0 0 0
3 21 2 0 0 0 0
4 5 1 0 0 0 0
6 5 1 0 0 0 0
6 7 1 0 0 0 0
7 9 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
9 10 1 0 0 0 0
8 19 1 0 0 0 0
13 18 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
19 13 1 0 0 0 0
19 22 2 0 0 0 0
3 20 1 0 0 0 0
20 2 1 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMAXS4ANt002
NAME Ethyl (2R) -2- (benzoylamino) -5- (diaminomethylideneamino) pentanoic acid
CAS_RN 971-21-1
FORMULA C15H22N4O3
EXACTMASS 306.1691
AVERAGEMASS 306.3603
SMILES CCOC(=O)C(CCCNC(N)=N)NC(=O)c(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01670
M END
