| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:39:08 UTC |
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| Update Date | 2025-03-24 21:16:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01728215 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C9H7NO |
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| Molecular Mass | 145.0528 |
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| SMILES | C#Cc1cccc(C(N)=O)c1 |
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| InChI Key | XDTSKHYMACGSGM-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 | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetylidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amideacetylidebenzoylcarboxamide groupcarboxylic acid derivativebenzamidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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