| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:01:15 UTC |
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| Update Date | 2025-03-24 14:09:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00773445 |
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| Frequency | 2.0 |
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| Structure | |
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| Chemical Formula | C7H9NO |
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| Molecular Mass | 123.0684 |
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| SMILES | C=CC1=C(CC)C(=O)N1 |
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| InChI Key | VIGLHXJUMHLDOU-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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