| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:47 UTC |
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| Update Date | 2025-03-25 00:58:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO4 |
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| Molecular Mass | 241.1314 |
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| SMILES | CCC(=O)OC1CC2CCC(C1C(=O)O)N2C |
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| InChI Key | BXPUSMMRJQBBAR-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 compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinepyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic amineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundtropane alkaloidamineorganooxygen compound |
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