| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:59 UTC |
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| Update Date | 2025-03-25 00:51:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO2 |
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| Molecular Mass | 203.0946 |
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| SMILES | CC(C)(Cc1ccc(C#N)cc1)C(=O)O |
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| InChI Key | DWZLPQVTESBUBN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzonitrilescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativebenzonitrilephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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