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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 | PAMDB110407 |
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Identification |
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| Name: |
(S)-4-hydroxymandelate |
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| Description: | Not Available |
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Structure |
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| Synonyms: | -
(S)-2-hydroxy-2-(4-hydroxyphenyl)acetate
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L-p-hydroxymandelate
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L-4-hydroxymandelate
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Chemical Formula: |
C8H7O4
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| Average Molecular Weight: |
167.14 |
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| Monoisotopic Molecular
Weight: |
168.0422587452 |
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| InChI Key: |
YHXHKYRQLYQUIH-ZETCQYMHSA-M |
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| InChI: |
InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/p-1/t7-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (2S)-hydroxy(4-hydroxyphenyl)acetate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(=O)([O-])C(C1(C=CC(=CC=1)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 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-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-2-unsubstituted benzenoids |
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Direct Parent |
1-hydroxy-2-unsubstituted benzenoids |
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| Alternative Parents |
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| Substituents |
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Aromatic alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- Organic anion
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
- 2-hydroxy carboxylate, phenols (CHEBI:32804)
- a small molecule (CPD-106)
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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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