| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:51 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO3 |
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| Molecular Mass | 191.0582 |
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| SMILES | COc1cc(C#N)cc(CC(=O)O)c1 |
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| InChI Key | OXACWZYUZZYQDV-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzonitrilescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupethernitrilecarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenebenzonitrilearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundcarbonitrileorganooxygen compound |
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