Mol:BMSUM6Ne--02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
3.7321 0.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 0.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -1.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 1 0 0 0 0
6 5 1 0 0 0 0
4 5 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 7 1 1 0 0 0
5 18 1 1 0 0 0
3 12 1 1 0 0 0
6 19 1 6 0 0 0
4 13 1 6 0 0 0
2 11 1 6 0 0 0
13 14 1 0 0 0 0
14 17 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
7 8 1 0 0 0 0
8 10 1 0 0 0 0
8 9 2 0 0 0 0
S SKP 7
ID BMSUM6Ne--02
NAME 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate
FORMULA C7H16N3O8P
EXACTMASS 301.0675
AVERAGEMASS 301.1911
SMILES NC(=N)N[C@H]([C@@H](O)1)[C@H](O)[C@@H](O)[C@@H]([C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01294
M END
