| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:06 UTC |
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| Update Date | 2025-03-25 00:50:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | O=C1CC(C(=O)O)N(Cc2ccccc2)C1 |
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| InChI Key | XXGVKHLCUKLVED-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 acidsamino acidsaralkylaminesazacyclic compoundsbenzylaminescarboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxoprolinesphenylmethylaminespyrrolidine carboxylic acidspyrrolidine-3-onestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-pyrrolidoneamino acidcyclic ketonearalkylamineketoneorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidonetertiary amineorganoheterocyclic compoundproline or derivativesoxoprolineazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativesphenylmethylaminepyrrolidine carboxylic acid or derivativesorganic oxygen compoundbenzylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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