Mol:BMMCBZ2Oe004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
5.4641 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.9330 0.0000 C 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 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 2.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 4.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 9 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
8 13 1 0 0 0 0
7 6 1 0 0 0 0
6 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 17 1 1 0 0 0
4 18 1 6 0 0 0
20 21 1 0 0 0 0
20 23 2 0 0 0 0
20 22 1 0 0 0 0
4 5 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
2 16 2 0 0 0 0
S SKP 7
ID BMMCBZ2Oe004
NAME 1-(2-Carboxy-phenyl-amino)-1-deoxy-D-ribulose 5-phosphate
FORMULA C12H16NO9P
EXACTMASS 349.0562
AVERAGEMASS 349.2305
SMILES OC(=O)c(c1)c(ccc1)NCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01302
M END
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