Mol:BMMCIZ--S526
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 1 0 0 0 0 0999 V2000
7.4931 -0.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4931 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8021 -1.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9931 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1841 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2330 -2.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9053 -0.0955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2143 0.8556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4053 1.4434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5963 0.8556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6453 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 1.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9053 -0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.8045 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 1.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 14 1 6 0 0 0
10 9 1 0 0 0 0
7 14 1 6 0 0 0
9 8 1 0 0 0 0
7 8 1 0 0 0 0
7 1 1 0 0 0 0
8 12 1 1 0 0 0
9 13 1 1 0 0 0
11 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 2 0 0 0 0
10 11 1 0 0 0 0
5 4 2 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 3 1 0 0 0 0
5 6 1 0 0 0 0
S SKP 5
ID BMMCIZ--S526
FORMULA C8H14N3O7P
EXACTMASS 295.05693632699996
AVERAGEMASS 295.18654100000003
SMILES Nc(c2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
