| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:54 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175984 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O3 |
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| Molecular Mass | 211.0957 |
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| SMILES | NC(=O)CC(N)C(=O)NCc1ccco1 |
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| InChI Key | XVVRRHGCTSEFEN-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativesfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylfurancarbonyl grouparomatic heteromonocyclic compoundfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesorganoheterocyclic compoundalpha-amino acid amideheteroaromatic compoundcarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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