| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:10 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206185 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | C=CC(=O)C1=NCCO1 |
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| InChI Key | RPPHVWXGHJVLOL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azolines |
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| Subclass | oxazolines |
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| Direct Parent | oxazolines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha,beta-unsaturated ketonesazacyclic compoundshydrocarbon derivativesimidoestersketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycleorganic 1,3-dipolar compoundalpha,beta-unsaturated ketoneimido esterpropargyl-type 1,3-dipolar organic compoundketoneoxacycleoxazolineorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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