| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO3 |
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| Molecular Mass | 171.0895 |
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| SMILES | O=C(O)C1C(O)CC2CC1CN2 |
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| InChI Key | DIBRJMMQXRZPJJ-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 compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidinessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinealcoholsecondary aliphatic amineazacyclehydroxy acidcyclic alcoholsecondary aminemonocarboxylic acid or derivativesazepaneorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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