| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:29:29 UTC |
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| Update Date | 2025-03-21 22:20:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00555106 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C7H11NO2 |
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| Molecular Mass | 141.079 |
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| SMILES | O=C(O)C1CN2CCCC12 |
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| InChI Key | VCZPSBMRGZRXDD-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 | azepanes |
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| Subclass | azepanes |
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| Direct Parent | azepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidazetidinecarboxylic acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineazacyclen-alkylpyrrolidinetertiary aliphatic amineazetidinemonocarboxylic acid or derivativesazepaneorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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