Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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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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