| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:12 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043830 |
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| Frequency | 77.4 |
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| Structure | |
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| Chemical Formula | C12H17N3O3 |
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| Molecular Mass | 251.127 |
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| SMILES | O=C(O)C(Cc1cc[nH]c1)NC(=O)C1CCCN1 |
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| InChI Key | ITORVKGDRGSHAY-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsproline and derivativespyrrolespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundsecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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