| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:37:55 UTC |
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| Update Date | 2025-03-24 22:09:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02009591 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | CC(=O)CC=CC(N)=O |
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| InChI Key | PNRGFGRTVZRASG-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | primary carboxylic acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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