| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:01 UTC |
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| Update Date | 2025-03-21 18:39:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124675 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C13H15NO3 |
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| Molecular Mass | 233.1052 |
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| SMILES | CC(C(=O)O)c1ccc(C2CCC(=O)N2)cc1 |
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| InChI Key | YLOBQZQKWBSYTM-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 monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidlactamcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundpyrrolidoneazacycle2-phenylpyrrolidinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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