| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:22 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O4S |
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| Molecular Mass | 258.0674 |
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| SMILES | NC(CS)C(=O)NC(Cc1ccco1)C(=O)O |
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| InChI Key | NEILUJJAJNPHIF-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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