| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:27 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016356 |
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| Frequency | 261.3 |
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| Structure | |
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| Chemical Formula | C8H5NO2 |
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| Molecular Mass | 147.032 |
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| SMILES | N#Cc1ccc(C(=O)O)cc1 |
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| InChI Key | ADCUEPOHPCPMCE-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzonitrilesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilecarboxylic acidbenzoylcarboxylic acid derivativebenzonitrilearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidcarbonitrileorganooxygen compound |
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