| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:25 UTC |
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| Update Date | 2025-03-21 18:29:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080041 |
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| Frequency | 36.4 |
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| Structure | |
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| Chemical Formula | C14H17NO3 |
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| Molecular Mass | 247.1208 |
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| SMILES | CC(C(=O)O)c1ccc(C2CCC(=O)N2C)cc1 |
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| InChI Key | DZKHTSSXQRALMP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolespyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidlactamcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidoneazacyclen-alkylpyrrolidine2-phenylpyrrolidinecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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