| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:39 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237060 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO4 |
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| Molecular Mass | 249.1001 |
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| SMILES | O=C(OCN1CCCC1C(=O)O)c1ccccc1 |
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| InChI Key | CUMJJPQOEGEHDJ-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzoate esterorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinebenzoic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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