| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:44 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | COc1ccc(NC=O)c(C(=O)S(=O)(=O)O)c1 |
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| InChI Key | VXGLSNJHQQAANT-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 | acylsulfonic acidsalkyl aryl ethersanilidesanisolesbenzoyl derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganic sulfonic acids and derivativesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfonylsthiobenzoic acids and derivativesthiolactonesvinylogous amides |
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| Substituents | acylsulfonic acidphenol ethercarbonyl groupetherbenzoyln-arylamidealkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundthiolactonethiobenzoic acid or derivativesvinylogous amideacylaminobenzoic acid or derivativesacylsulfonic acid or derivativescarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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