Mol:BMMCHC--p018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 1 0 0 0 0 0999 V2000
3.2601 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.0861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5201 -0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6723 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
9 1 1 0 0 0 0
3 2 2 0 0 0 0
1 2 1 0 0 0 0
1 6 2 0 0 0 0
4 5 1 0 0 0 0
3 8 1 0 0 0 0
2 7 1 0 0 0 0
5 10 1 0 0 0 0
4 9 1 1 0 0 0
S SKP 7
ID BMMCHC--p018
NAME (2R) -4,5-Dihydroxy-2- (hydroxymethyl) furan-3-one
CAS_RN 138760-70-0
FORMULA C5H6O5
EXACTMASS 146.0215
AVERAGEMASS 146.0981
SMILES OC[C@H](O1)C(O)=C(O)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06316
M END
