| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O3S |
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| Molecular Mass | 269.0834 |
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| SMILES | Nc1cccc(C(=O)CSCC(N)C(=O)O)c1N |
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| InChI Key | HNBYIGAMRSAKOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesulfenyl compounddialkylthioetheraromatic homomonocyclic compoundmonocarboxylic acid or derivativesthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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