| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:09 UTC |
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| Update Date | 2025-03-25 01:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N3O3 |
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| Molecular Mass | 315.1583 |
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| SMILES | NCC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)O |
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| InChI Key | XJGQKORPSLKIRD-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 compoundsbenzenoidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolespyrrolidine carboxylic acidstertiary 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 derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupbeta amino acid or derivativesmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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