| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:35 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO4 |
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| Molecular Mass | 229.1314 |
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| SMILES | CC(O)C(=O)OC1C(O)CC2CCC1N2C |
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| InChI Key | AVGKSJBQMMGRTQ-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 acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspiperidinessecondary alcoholstrialkylamines |
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| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepiperidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminecyclic alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundtropane alkaloidamineorganooxygen compound |
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