| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:57 UTC |
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| Update Date | 2025-03-25 00:57:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226531 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO4 |
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| Molecular Mass | 283.0845 |
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| SMILES | CC(Oc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)O |
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| InChI Key | YXRPLIGUAFAZDH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | 2-phenoxypropionic acids |
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| Direct Parent | aryloxyphenoxypropionic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzonitrilescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivatives |
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| Substituents | diaryl etherphenol etherphenoxyacetatecarbonyl groupethernitrilecarboxylic acidaryloxyphenoxypropionic acidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzonitrilearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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