| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:23 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206691 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O4 |
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| Molecular Mass | 212.0797 |
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| SMILES | O=C(CO)NCC(=O)NCc1ccco1 |
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| InChI Key | QSAJPQXRKUJKDD-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 heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | alcoholfurancarbonyl groupalpha-amino acid amidearomatic heteromonocyclic compoundn-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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