| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:25:42 UTC |
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| Update Date | 2025-03-25 01:03:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02259991 |
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| Frequency | 0.5 |
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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 | O=C1CC2CC(CO2)N1 |
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| InChI Key | GNKZREPHSMIPEQ-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 | oxazepines |
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| Subclass | 1,4-oxazepines |
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| Direct Parent | 1,4-oxazepines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdelta lactamsdialkyl ethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspiperidinonessecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupetherlactamazacycletetrahydrofurancarboxamide groupcarboxylic acid derivativedialkyl etherpara-oxazepinedelta-lactamaliphatic heteropolycyclic compoundoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundpiperidinonehydrocarbon derivativeorganic nitrogen compoundpiperidineorganooxygen compound |
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