| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:38 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198088 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O3S2 |
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| Molecular Mass | 314.0759 |
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| SMILES | CSSCCNc1ccc(C(=O)CC(N)C(=O)O)cc1 |
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| InChI Key | QWLIDMPUAUEQNV-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 derivativesbutyrophenonescarboxylic acidsdialkyldisulfidesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessulfenyl compounds |
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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 compoundsulfenyl compoundsecondary aminesecondary aliphatic/aromatic aminegamma-keto acidbutyrophenonearomatic homomonocyclic compounddialkyldisulfidemonocarboxylic acid or derivativesorganic disulfideketo acidphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaminealkyl-phenylketone |
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