Mol:BMMCBZ2Pk007
From Metabolomics.JP
(Difference between revisions)
| Line 31: | Line 31: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ2Pk007 | ID BMMCBZ2Pk007 | ||
| − | NAME 2-Hydroxy-3-(4- | + | NAME (Z) -2-Hydroxy-3- (4-hydroxyphenyl) prop-2-enoic acid |
| + | CAS_RN 10589-28-3 | ||
FORMULA C9H8O4 | FORMULA C9H8O4 | ||
EXACTMASS 180.0422 | EXACTMASS 180.0422 | ||
Latest revision as of 16:02, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 4 2 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
1 10 1 0 0 0 0
1 11 2 0 0 0 0
2 1 1 0 0 0 0
2 12 1 0 0 0 0
7 13 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pk007
NAME (Z) -2-Hydroxy-3- (4-hydroxyphenyl) prop-2-enoic acid
CAS_RN 10589-28-3
FORMULA C9H8O4
EXACTMASS 180.0422
AVERAGEMASS 180.1574
SMILES Oc(c1)ccc(c1)C=C(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05350
M END
