| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:37 UTC |
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| Update Date | 2025-03-21 18:05:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056487 |
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| Frequency | 56.4 |
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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)CC2CCC1N2 |
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| InChI Key | ZPUGXBYVTGDKSR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | tropane alkaloids |
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| Subclass | tropane alkaloids |
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| Direct Parent | tropane alkaloids |
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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 compoundspiperidinecarboxylic acidspiperidinespyrrolidinessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinepyrrolidineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacyclehydroxy acidcyclic alcoholsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundtropane alkaloidorganooxygen compoundamine |
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