Mol:BMMCBZ1Sm016
From Metabolomics.JP
(Difference between revisions)
| Line 39: | Line 39: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ1Sm016 | ID BMMCBZ1Sm016 | ||
| − | NAME | + | NAME N- [4- (Diaminomethylideneamino) butyl] benzamide |
| + | CAS_RN 958733-14-7 | ||
FORMULA C12H18N4O | FORMULA C12H18N4O | ||
EXACTMASS 234.148 | EXACTMASS 234.148 | ||
Latest revision as of 15:41, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
17 17 0 0 0 0 0 0 0 0999 V2000
3.7321 -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
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 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 N 0 0 0 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
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.0000 0.0000 N 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
5 6 2 0 0 0 0
5 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
7 17 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 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
13 14 1 0 0 0 0
14 16 1 0 0 0 0
14 15 2 0 0 0 0
S SKP 7
ID BMMCBZ1Sm016
NAME N- [4- (Diaminomethylideneamino) butyl] benzamide
CAS_RN 958733-14-7
FORMULA C12H18N4O
EXACTMASS 234.148
AVERAGEMASS 234.2976
SMILES NC(=N)NCCCCNC(=O)c(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02253
M END
