| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:19 UTC |
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| Update date | 2017-01-19 02:36:28 UTC |
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| FoodComEx ID | PC000562 |
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| FoodDB Record | FDB022748 |
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| Chemical Information |
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| Name | gamma-CEHC |
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| Description | gamma-CEHC is metabolites of Vitamin E.
smokers has significantly higher excretion of urinary gamma-CEHC that's why they require more vitamin E compared to non-smokers.Cigarette smoking is associated with increased oxidative stress and increased risk of degenerative disease. As the major lipophilic antioxidant, requirements for vitamin E may be higher in smokers due to increased utilisation.(PMID:15493460) [HMDB] |
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| CAS Number | 178167-75-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| gamma-CEHC | hmdb |
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| Chemical Formula | C15H20O3 |
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| IUPAC name | 3-(2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid |
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| InChI Identifier | InChI=1S/C15H20O3/c1-10-4-5-12-6-8-15(3,9-7-13(16)17)18-14(12)11(10)2/h4-5H,6-9H2,1-3H3,(H,16,17) |
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| InChI Key | WTGHQIKMADLFAH-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1=CC=C2CCC(C)(CCC(O)=O)OC2=C1C |
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| Average Molecular Weight | 248.3175 |
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| Monoisotopic Molecular Weight | 248.141244506 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzopyrans |
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| Sub Class | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Alternative Parents | |
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| Substituents | - 1-benzopyran
- Alkyl aryl ether
- Benzenoid
- Oxacycle
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
