| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:51 UTC |
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| Update Date | 2025-03-21 18:04:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047825 |
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| Frequency | 69.5 |
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| Structure | |
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| Chemical Formula | C9H11NO5S |
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| Molecular Mass | 245.0358 |
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| SMILES | COc1cc(S(=O)(=O)O)ccc1NC(C)=O |
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| InChI Key | PLQVPNYIAZIZLC-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 | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsacetamidesalkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acidsphenoxy compoundssecondary carboxylic acid amidessulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupethern-acetylarylamineorganosulfonic acidn-arylamidebenzenesulfonatealkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundacetanilidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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