Mol:BMMCACCHq013
From Metabolomics.JP
(Difference between revisions)
| Line 37: | Line 37: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCACCHq013 | ID BMMCACCHq013 | ||
| − | NAME | + | NAME 4-Hydroxy-4- [(E) -3-hydroxybut-1-enyl] -3,5,5-trimethylcyclohex-2-en-1-one |
| + | CAS_RN 1021481-41-3 | ||
FORMULA C13H20O3 | FORMULA C13H20O3 | ||
EXACTMASS 224.1412 | EXACTMASS 224.1412 | ||
Latest revision as of 15:18, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.5981 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.5981 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5981 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 1 0 0 0 0
5 13 1 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 14 1 4 0 0 0
9 10 1 0 0 0 0
6 15 1 4 0 0 0
3 16 2 0 0 0 0
S SKP 7
ID BMMCACCHq013
NAME 4-Hydroxy-4- [(E) -3-hydroxybut-1-enyl] -3,5,5-trimethylcyclohex-2-en-1-one
CAS_RN 1021481-41-3
FORMULA C13H20O3
EXACTMASS 224.1412
AVERAGEMASS 224.296
SMILES CC(O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04166
M END
