| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:38 UTC |
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| Update date | 2017-01-19 02:36:35 UTC |
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| FoodComEx ID | PC000774 |
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| FoodDB Record | FDB023144 |
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| Chemical Information |
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| Name | 3-Methoxy-4-Hydroxyphenylglycol sulfate |
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| Description | A sulfated metabolite of brain norepinephrine. It is formed by phenolsulphotransferase acting on 3-methoxy-4-hydroxphenylglycol (MHPG). [HMDB] |
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| CAS Number | 71324-20-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (3-Methoxy-4-sulfonyloxyphenyl)glycol | hmdb | | 3-Methoxy-4-Hydroxyphenyl Glycol Sulfate | hmdb | | 3-Methoxy-4-Hydroxyphenylglycol Sulfate | hmdb | | 3-Methoxy-4-Hydroxyphenylglycol Sulfic acid | hmdb | | 4-Hydroxy-3-methoxyphenylglycol sulfate | HMDB | | 4-Hydroxy-3-methoxyphenylglycol sulphate | HMDB | | 4-hydroxy-3methoxyphenylglycol sulfate | hmdb | | MHPG-sulfate | hmdb | | MHPG-sulphate | HMDB |
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| Chemical Formula | C9H12O7S |
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| IUPAC name | [2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethoxy]sulfonic acid |
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| InChI Identifier | InChI=1S/C9H12O7S/c1-15-8-4-6(2-3-7(8)11)9(5-10)16-17(12,13)14/h2-4,9-11H,5H2,1H3,(H,12,13,14) |
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| InChI Key | SBKADJXSGGTEPN-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=C(O)C=CC(=C1)C(CO)OS(O)(=O)=O |
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| Average Molecular Weight | 264.252 |
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| Monoisotopic Molecular Weight | 264.030373428 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenols |
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| Sub Class | Methoxyphenols |
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| Direct Parent | Methoxyphenols |
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| Alternative Parents | |
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| Substituents | - Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Sulfuric acid ester
- Alkyl sulfate
- Sulfate-ester
- Sulfuric acid monoester
- Organic sulfuric acid or derivatives
- Ether
- Primary alcohol
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic 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 5 mg |
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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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| Toronto Research Chemicals | H950245 |
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