| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:48 UTC |
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| Update Date | 2025-03-21 18:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109849 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | CN1CCCC1c1ccc(C(=O)O)cc1 |
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| InChI Key | LSHLBNZDUTUOLI-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 | amino acidsaralkylaminesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativearalkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidtertiary amineazacyclen-alkylpyrrolidine2-phenylpyrrolidinetertiary aliphatic aminebenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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