Mol:BMMCLA--q014
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 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 | + | 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 | + | 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 | + | 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 3 0 0 0 0 0 0 0 0 0 | + | 4.5691 -0.0861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.5201 -0.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.5201 -0.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.2633 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2633 0.2740 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 | + | 2.6723 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 | + | 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 | + | 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 | + | 4.2601 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7281 -1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7281 -1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2143 -0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2143 -0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 10 1 4 0 0 0 | + | 4 10 1 4 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 10 1 1 0 0 0 0 | + | 10 1 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 7 2 0 0 0 0 | + | 1 7 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 5 11 1 6 0 0 0 | + | 5 11 1 6 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCLA--q014 | + | ID BMMCLA--q014 |
| − | NAME | + | NAME (2R) -2- (1,2-Dihydroxyethyl) -4-hydroxy-3-λ1-oxidanyl-2H-furan-5-one |
| − | FORMULA C6H8O6 | + | CAS_RN 490-83-5 |
| − | EXACTMASS 176.032 | + | FORMULA C6H8O6 |
| − | AVERAGEMASS 176.1241 | + | EXACTMASS 176.032 |
| − | SMILES OC[C@H](O)C(O1)C(O)=C(O)C(=O)1 | + | AVERAGEMASS 176.1241 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01041 | + | SMILES OC[C@H](O)C(O1)C(O)=C(O)C(=O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01041 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:00, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
12 12 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 3 0 0 0 0 0 0 0 0 0
5.5201 -0.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2633 0.2740 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
5.7281 -1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2143 -0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 10 1 4 0 0 0
4 3 1 0 0 0 0
10 1 1 0 0 0 0
3 2 2 0 0 0 0
1 2 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 7 2 0 0 0 0
2 8 1 0 0 0 0
3 9 1 0 0 0 0
5 11 1 6 0 0 0
6 12 1 0 0 0 0
S SKP 7
ID BMMCLA--q014
NAME (2R) -2- (1,2-Dihydroxyethyl) -4-hydroxy-3-λ1-oxidanyl-2H-furan-5-one
CAS_RN 490-83-5
FORMULA C6H8O6
EXACTMASS 176.032
AVERAGEMASS 176.1241
SMILES OC[C@H](O)C(O1)C(O)=C(O)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01041
M END
