| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:28 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202318 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16NO4+ |
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| Molecular Mass | 262.1074 |
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| SMILES | C[N+]1(C)CC(=Cc2ccc(O)cc2)C(=O)C1C(=O)O |
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| InChI Key | IPAFJPVPZZLBEE-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminesazacyclic compoundsbenzene and substituted derivativescarboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-3-onestetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-pyrrolidone1-hydroxy-2-unsubstituted benzenoidcyclic ketoneketoneorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolinetetraalkylammonium saltazacyclen-alkylpyrrolidinequaternary ammonium saltmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compound |
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