| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:25 UTC |
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| Update Date | 2025-03-21 18:04:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051438 |
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| Frequency | 63.5 |
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| Structure | |
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| Chemical Formula | C8H6N2O |
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| Molecular Mass | 146.048 |
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| SMILES | N#Cc1cccc(C(N)=O)c1 |
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| InChI Key | PAQVSWFCADWSLB-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 | benzonitrilesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidenitrilebenzoylcarboxamide groupcarboxylic acid derivativebenzamidebenzonitrilearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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