| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:06 UTC |
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| Update Date | 2025-03-21 18:06:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062431 |
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| Frequency | 49.7 |
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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 | O=C(O)C1CCCN1Cc1ccccc1 |
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| InChI Key | XNROFTAJEGCDCT-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 compoundsbenzylaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenylmethylaminespyrrolidine carboxylic acidstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidaralkylamineorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativesphenylmethylaminepyrrolidine carboxylic acid or derivativesorganic oxygen compoundbenzylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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