| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:49 UTC |
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| Update Date | 2025-03-21 18:41:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133679 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C9H11NO2S |
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| Molecular Mass | 197.051 |
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| SMILES | C=CCS(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | RGIPTJCUMKROIK-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | allyl sulfur compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfones |
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| Substituents | allyl sulfur compoundorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminesulfonebenzenesulfonyl group |
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