| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:12:40 UTC |
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| Update Date | 2025-03-24 16:43:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00944657 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | CC(=O)C1=CCCC(O)=N1 |
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| InChI Key | AWFYXZCPWLERRA-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 | carboximidic acids and derivatives |
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| Subclass | carboximidic acids |
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| Direct Parent | cyclic carboximidic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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