| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:32:15 UTC |
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| Update Date | 2025-03-24 21:40:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01854045 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C5H5NO2 |
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| Molecular Mass | 111.032 |
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| SMILES | NCC(O)=C=C=C=O |
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| InChI Key | PDRGZAOLRSXMFH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | alkanolamines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganooxygen compoundalkanolamine |
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