Mol:BMMCBZ2Pq048
From Metabolomics.JP
(Difference between revisions)
| Line 21: | Line 21: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ2Pq048 | ID BMMCBZ2Pq048 | ||
| − | NAME | + | NAME 4-Hydroxyphenolate |
| + | CAS_RN 123-31-9 | ||
FORMULA C6H6O2 | FORMULA C6H6O2 | ||
EXACTMASS 110.0367 | EXACTMASS 110.0367 | ||
Latest revision as of 16:04, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
8 8 0 0 0 0 0 0 0 0999 V2000
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
6 1 1 0 0 0 0
5 6 2 0 0 0 0
1 7 2 0 0 0 0
4 8 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pq048
NAME 4-Hydroxyphenolate
CAS_RN 123-31-9
FORMULA C6H6O2
EXACTMASS 110.0367
AVERAGEMASS 110.1106
SMILES OC(C=1)C=CC(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02389
M END
