| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:35 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O3 |
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| Molecular Mass | 289.1426 |
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| SMILES | N=C(N1Cc2ccccc2C(O)C1)N1CCCC1C(=O)O |
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| InChI Key | GKYRGZRIQXICSP-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcoholstetrahydroisoquinolines |
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| Substituents | carbonyl groupcarboxylic acidguanidineimineorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholazacyclecarboximidamidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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