| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:19 UTC |
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| Update Date | 2025-03-25 00:53:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201985 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO4S |
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| Molecular Mass | 241.0409 |
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| SMILES | CSCC(=O)Nc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | PMJAFCFYFDSGCK-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssalicylic acidssecondary carboxylic acid amidessulfenyl compoundsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidesalicylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacylaminobenzoic acid or derivativessulfenyl compounddialkylthioethercarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesthioetherphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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