| SpectraBase Compound ID | EcdD6APQQjp |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1 |
| InChIKey | CQIUKKVOEOPUDV-IYSWYEEDSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9PqucnR9OIB |
|---|---|
| Name | Citrinin |
| CAS Registry Number | 518-75-2 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1 |
| InChIKey | CQIUKKVOEOPUDV-IYSWYEEDSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | OC(C=1C(C(=C2C(C1O)=CO[C@@]([C@]2(C)[H])(C)[H])C)=O)=O |
| SPLASH | splash10-0udi-7890000000-95a48e7ea84f62d9a84c |
| Source of Spectrum | MY-1981-0-0 |
| Synonyms | 8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)- 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid Antimycin Citriain 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo- (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid |
| Wiley ID | 1253073 |