| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:09 UTC |
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| Update Date | 2025-03-21 18:07:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067288 |
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| Frequency | 45.2 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | O=C(O)C1CCCN1C(=O)c1ccccc1O |
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| InChI Key | RQLIRNHFEYPHIB-UHFFFAOYSA-N |
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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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssalicylamidestertiary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidinebenzoyl1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesazacyclen-acyl-alpha-amino acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamidevinylogous acidmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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