| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:28:36 UTC |
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| Update Date | 2025-03-21 19:18:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00270414 |
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| Frequency | 7.6 |
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| Structure | |
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| Chemical Formula | C6H7NO |
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| Molecular Mass | 109.0528 |
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| SMILES | C=CC1=C(C)NC1=O |
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| InChI Key | JGAVYUYVFKRFJH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | vinylogous amides |
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| Subclass | vinylogous amides |
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| Direct Parent | vinylogous amides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | vinylogous amidecarbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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