| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:50 UTC |
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| Update date | 2017-01-19 02:36:19 UTC |
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| FoodComEx ID | PC000310 |
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| FoodDB Record | FDB022265 |
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| Chemical Information |
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| Name | Normetanephrine |
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| Description | A methylated metabolite of norepinephrine that is excreted in the urine and found in certain tissues. It is a marker for tumors. [HMDB] |
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| CAS Number | 97-31-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (+/-)-alpha-(aminomethyl)-4-hydroxy-3-methoxy-Benzenemethanol | hmdb | | (+/-)-Normetanephrine | hmdb | | 3-methoxy-Noradrenaline | hmdb | | 3-O-methyl-Noradrenaline | hmdb | | 4-(2-Amino-1-hydroxyethyl)-2-methoxyphenol | hmdb | | alpha-(aminomethyl)-4-hydroxy-3-methoxy-Benzenemethanol | hmdb | | dl-N-Normetanephrine | hmdb | | dl-Normetanephrine | hmdb | | L-Normetanephrine | hmdb | | m-O-Methylnorepinephrine | hmdb | | N111 | hmdb | | Normetadrenaline | hmdb | | O-Methylnoradrenaline | hmdb |
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| Chemical Formula | C9H13NO3 |
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| IUPAC name | 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol |
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| InChI Identifier | InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 |
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| InChI Key | YNYAYWLBAHXHLL-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC(=CC=C1O)C(O)CN |
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| Average Molecular Weight | 183.2044 |
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| Monoisotopic Molecular Weight | 183.089543287 |
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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
- Phenol ether
- Methoxybenzene
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Monocyclic benzene moiety
- Secondary alcohol
- 1,2-aminoalcohol
- Ether
- Primary amine
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- Alcohol
- Aromatic alcohol
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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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 500 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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| Not Available |
