| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:14 UTC |
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| Update Date | 2025-03-25 01:01:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252231 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N4O3 |
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| Molecular Mass | 314.1379 |
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| SMILES | NC1=NC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)CC1 |
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| InChI Key | FYHYJOZCADTQLC-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 acidsamidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsindolesmonocarboxylic 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 acidindoleamidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidpyrroline carboxylic acid or derivativesheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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