| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:24:21 UTC |
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| Update Date | 2025-03-25 00:40:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02119677 |
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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 | CN1CC2C(=O)OCC21 |
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| InChI Key | XONWXUKHWRWRJY-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 | amino acids and derivativesazacyclic compoundsazetidinescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundstetrahydrofuranstrialkylamines |
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| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativelactonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineazacycletetrahydrofurantertiary aliphatic aminegamma butyrolactonepara-oxazepineazetidineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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