| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:43 UTC |
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| Update Date | 2025-03-21 17:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019147 |
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| Frequency | 219.9 |
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| Structure | |
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| Chemical Formula | C13H15N3O2 |
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| Molecular Mass | 245.1164 |
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| SMILES | CC(=O)NC(=O)C(N)Cc1c[nH]c2ccccc12 |
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| InChI Key | KVVNHTMDRVYYII-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdicarboximidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupindolecarboxylic acid imide, n-unsubstitutedorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideorganoheterocyclic compoundacetamidealpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxylic acid imideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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