| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:52 UTC |
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| Update Date | 2025-03-21 18:30:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081107 |
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| Frequency | 35.7 |
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| Structure | |
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| Chemical Formula | C10H7NO2 |
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| Molecular Mass | 173.0477 |
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| SMILES | N#CC(=Cc1ccccc1)C(=O)O |
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| InChI Key | CDUQMGQIHYISOP-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 | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acidcarboxylic acid derivativearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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