Mol:BMMCIZ--S527
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 1 0 0 0 0 0999 V2000
5.4190 -0.2203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 -1.7591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4190 -0.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 0.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6978 1.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5068 2.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3158 1.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2669 1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -3.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7468 1.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5068 3.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0068 0.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0100 1.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9611 1.4887 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.2701 0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9122 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6521 2.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
4 3 1 0 0 0 0
9 8 1 0 0 0 0
8 17 1 1 0 0 0
11 17 1 1 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
11 12 1 0 0 0 0
8 1 1 0 0 0 0
10 16 1 6 0 0 0
9 15 1 6 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
4 6 1 0 0 0 0
5 4 2 0 0 0 0
6 7 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
7 14 1 0 0 0 0
7 13 2 0 0 0 0
S SKP 7
NAME 2- [1- [(2R,3R,4S,5R) -3,4-Dihydroxy-5- (phosphonooxymethyl) oxolan-2-yl] imidazol-4-yl] acetic acid
CAS_RN 2888-19-9
ID BMMCIZ--S527
FORMULA C10H15N2O9P
EXACTMASS 338.051516598
AVERAGEMASS 338.207941
SMILES OC(=O)Cc(n2)cn(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
SMILES OC(=O)Cc(n2)cn(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
