| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:49 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O9S |
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| Molecular Mass | 374.042 |
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| SMILES | CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)cc1C(=O)O |
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| InChI Key | WWTARQLPUPUCQP-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 compoundsacetamidesacetanilidesalpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamidebenzenesulfonyl groupvinylogous amideacylaminobenzoic acid or derivativesbenzenesulfonamideaminosulfonyl compoundacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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