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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 | PAMDB120093 |
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Identification |
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| Name: |
3-acetylamino-4-hydroxybenzoate |
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| Description: | Not Available |
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Structure |
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| Synonyms: | - 3-acetylamino-4-hydroxybenzoic acid
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Chemical Formula: |
C9H8NO4 |
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| Average Molecular Weight: |
194.166 |
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| Monoisotopic Molecular
Weight: |
195.05316 |
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| InChI Key: |
BXBFVCYLJXGOGI-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C9H9NO4/c1-5(11)10-7-4-6(9(13)14)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H,13,14)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC(=O)NC1(=CC(C([O-])=O)=CC=C(O)1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
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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 |
Acylaminobenzoic acid and derivatives |
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| Alternative Parents |
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| Substituents |
- Acylaminobenzoic acid or derivatives
- Acetanilide
- Benzoic acid
- N-acetylarylamine
- Anilide
- Benzoyl
- N-arylamide
- Phenoxide
- Acetamide
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Organic anion
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | Not Available |
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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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