| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:09 UTC |
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| Update Date | 2025-03-21 18:28:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072088 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O4 |
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| Molecular Mass | 302.1267 |
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| SMILES | O=C(O)C1CCCN1C(=O)C(O)Cc1c[nH]c2ccccc12 |
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| InChI Key | FIYRIPUXPHTBBB-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolespyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindolen-acylpyrrolidineorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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