| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:39 UTC |
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| Update date | 2017-01-19 02:36:23 UTC |
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| FoodComEx ID | PC000432 |
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| FoodDB Record | FDB022222 |
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| Chemical Information |
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| Name | 3-Hydroxymandelic acid |
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| Description | m-hydroxymandelic acid or 3-hyrodxymandelic acid is a metabolic breakdown product of m-octopamine, m-synephrine (phenylephrine) and m-tyrosine. It is a naturally occuring catecholamine metabolite. Concentrations of m-hydroxymandelic acid can be elevated 20- to 30-fold in neuroblastoma patients. [HMDB] |
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| CAS Number | 17119-15-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Hydroxymandelate | hmdb | | 3-Hydroxyphenylglycolic acid | hmdb | | alpha,3-Dihydroxybenzeneacetic acid | hmdb | | DL-3-Hydroxymandelate | hmdb | | DL-3-Hydroxymandelic acid | hmdb | | DL-hydroxy(m-hydroxyphenyl)acetic acid | hmdb | | Hydroxy(3-hydroxyphenyl)acetic acid | hmdb | | m-hydroxy-(6CI,7CI,8CI)Mandelate | hmdb | | m-hydroxy-(6CI,7CI,8CI)Mandelic acid | hmdb | | M-hydroxymandelate | hmdb | | M-hydroxymandelic acid | hmdb | | meta-hydroxymandelic acid | hmdb | | MHMA | hmdb |
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| Chemical Formula | C8H8O4 |
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| IUPAC name | 2-hydroxy-2-(3-hydroxyphenyl)acetic acid |
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| InChI Identifier | InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) |
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| InChI Key | OLSDAJRAVOVKLG-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(C(O)=O)C1=CC(O)=CC=C1 |
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| Average Molecular Weight | 168.1467 |
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| Monoisotopic Molecular Weight | 168.042258744 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. |
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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 | 1-hydroxy-4-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-4-unsubstituted benzenoids |
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| Alternative Parents | |
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| Substituents | - 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alpha-hydroxy acid
- Monocyclic benzene moiety
- Hydroxy acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Alcohol
- Organooxygen compound
- Aromatic alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- 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 100 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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| MetaSci | HMDB0000750 |
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| Toronto Research Chemicals | H944350 |
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| Toronto Research Chemicals | HMDB0000750 |
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