| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:39 UTC |
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| Update date | 2017-01-19 02:36:43 UTC |
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| FoodComEx ID | PC000969 |
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| FoodDB Record | FDB029984 |
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| Chemical Information |
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| Name | 4-Hydroxyhippuric acid |
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| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
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| CAS Number | 2482-25-9 |
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| Structure | |
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| Synonyms | |
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| Chemical Formula | C9H9NO4 |
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| IUPAC name | 2-[(4-hydroxyphenyl)formamido]acetic acid |
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| InChI Identifier | InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) |
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| InChI Key | ZMHLUFWWWPBTIU-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)CNC(=O)C1=CC=C(O)C=C1 |
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| Average Molecular Weight | 195.1721 |
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| Monoisotopic Molecular Weight | 195.053157781 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Hippuric acids |
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| Alternative Parents | |
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| Substituents | - Hippuric acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Benzoyl
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Organic nitrogen compound
- Organopnictogen compound
- Carbonyl group
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen 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 50 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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| AKSci | 4943AH |
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| Matrix Scientific | HMDB0013678 |
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| MetaSci | HMDB0013678 |
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| Toronto Research Chemicals | H827810 |
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