| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:21 UTC |
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| Update Date | 2025-03-21 18:39:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125469 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C10H13NO2S |
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| Molecular Mass | 211.0667 |
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| SMILES | CSCCNc1ccc(C(=O)O)cc1 |
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| InChI Key | WKDPDQCLIRYQBJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzoyl derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessulfenyl compounds |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidsulfenyl compounddialkylthioethersecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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