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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110028 |
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Identification |
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| Name: |
2-(4-hydroxyphenyl)-2-oxoacetate |
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| Description: | Conjugate base of 4-hydroxyphenylglyoxylic acid. |
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Structure |
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| Synonyms: | -
p-hydroxybenzoylformate
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4-hydroxyphenylglyoxylate
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4-hydroxybenzoylformate
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2-(4-hydroxyphenyl)-2-oxo-acetic acid
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Chemical Formula: |
C8H5O4
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| Average Molecular Weight: |
165.12 |
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| Monoisotopic Molecular
Weight: |
166.026608681 |
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| InChI Key: |
KXFJZKUFXHWWAJ-UHFFFAOYSA-M |
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| InChI: |
InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (4-hydroxyphenyl)(oxo)acetate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(C(C1(C=CC(O)=CC=1))=O)(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
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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 | Benzoyl derivatives |
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Direct Parent |
Benzoyl derivatives |
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| Alternative Parents |
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| Substituents |
- Benzoyl
- Aryl ketone
- Phenoxide
- Alpha-keto acid
- Keto acid
- Alpha-hydroxy ketone
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic anion
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
- 2-oxo monocarboxylic acid anion (CHEBI:58586)
- a small molecule (CPD-142)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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