| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:24 UTC |
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| Update Date | 2025-03-21 18:38:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118636 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C16H17N3O3 |
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| Molecular Mass | 299.127 |
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| SMILES | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C1CCC=N1 |
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| InChI Key | VKTSXSNRQXPLTF-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 derivativesiminesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrroline carboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindoleiminepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidpyrroline carboxylic acid or derivativesheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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