| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:57 UTC |
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| Update Date | 2025-03-21 18:36:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112657 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C9H7NO3 |
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| Molecular Mass | 177.0426 |
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| SMILES | N#Cc1cc(CC(=O)O)ccc1O |
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| InChI Key | WRVXUFDYIXXMHA-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 | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupnitrilecarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzonitrilearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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