Citrinin
Citrinin Structure
Systematic / IUPAC Name: (3R,4S)-8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
ID: Reference1774
Other Names:
4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid;
(3R-trans-)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid;
3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-;
(4S,3R)-8-Hydroxy-3,4,5-trimethyl-6-oxoisochromane-7-carboxylic acid;
Antimycin
Formula: C13H14O5
Class: Natural Toxins Endogenous Metabolites
Spectral Data
Citrinin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 2793 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 12/1/2014 3:23:57 PM |
Identificators
| InChI | InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1 |
| InChI Key | CBGDIJWINPWWJW-IYSWYEEDSA-N |
| Canonical SMILES | CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C |
| CAS | 518752 |
| Splash | |
| Other Names |
4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid; (3R-trans-)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid; 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-; (4S,3R)-8-Hydroxy-3,4,5-trimethyl-6-oxoisochromane-7-carboxylic acid; Antimycin; (-)-Citrinin |
In Other Databases
| Wikipedia | Citrinin |
| ChemSpider | 10222475 |
| ChEMBL | CHEMBL510139 |
| ChEBI | CHEBI:48707 |
| HMDb | HMDB41857 |
| KEGG | C16765 |
| PubChem | 54680783 |