| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:00 UTC |
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| Update Date | 2025-03-21 18:33:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098094 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C15H19NO2 |
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| Molecular Mass | 245.1416 |
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| SMILES | CN1C2CCC1CC(OC(=O)c1ccccc1)C2 |
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| InChI Key | XQJMXPAEFMWDOZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspiperidinestrialkylaminestropane alkaloids |
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| Substituents | amino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidinepiperidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundtropane alkaloidamineorganooxygen compound |
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