| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:24 UTC |
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| Update Date | 2025-03-25 00:54:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO3 |
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| Molecular Mass | 225.1365 |
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| SMILES | CC(C)C(=O)OC1CC2CCC(C1=O)N2C |
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| InChI Key | KCOBYRFDQSLSSD-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 | alpha-acyloxy ketonesamino acids and derivativesazacyclic compoundscarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspiperidinonestrialkylamines |
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| Substituents | carbonyl groupalpha-acyloxy ketoneamino acid or derivativescarboxylic acid derivativeketonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinonepyrrolidinepiperidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundtropane alkaloidamineorganooxygen compound |
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