Mol:KOX00102
From Metabolomics.JP
Copyright: ARM PROJECT http://www.metabolome.jp/
20 20 0 0 0 0 0 0 0 0999 V2000
-0.4541 0.3180 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
0.2598 0.7315 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
-1.1573 0.7315 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
-0.4506 -0.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2598 1.5514 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
0.8887 0.1130 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0
-1.1573 1.5514 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
-1.8641 0.3180 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
-0.8958 -1.2192 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
-0.4541 1.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9736 1.9648 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
1.6980 -0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8641 1.9648 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0
-1.7404 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4929 -1.9648 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0
2.4896 0.0778 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0
1.7015 -1.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4896 1.4277 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
-2.1397 -0.4488 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
-2.1857 -1.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 1 0 0 0
2 5 1 0 0 0 0
2 6 1 6 0 0 0
3 7 1 0 0 0 0
3 8 1 6 0 0 0
4 9 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 4 0 0 0
6 12 1 0 0 0 0
7 13 1 1 0 0 0
9 14 1 0 0 0 0
9 15 1 6 0 0 0
12 16 1 0 0 0 0
12 17 2 0 0 0 0
13 18 1 0 0 0 0
14 19 1 0 0 0 0
14 20 2 0 0 0 0
7 10 1 0 0 0 0
S SKP 8
CAS_RN 61633-75-8
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02713
NAME N-Acetylmuramate
ID KOX00102
FORMULA C11H19NO8
EXACTMASS 293.11106658899996
AVERAGEMASS 293.2705
SMILES OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1
M END
