| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:32 UTC |
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| Update Date | 2025-03-21 18:02:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037472 |
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| Frequency | 93.9 |
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| Structure | |
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| Chemical Formula | C9H10N2O5S |
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| Molecular Mass | 258.031 |
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| SMILES | CC(=O)Nc1ccc(S(N)(=O)=O)cc1C(=O)O |
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| InChI Key | BCWDFGMHPSZMMV-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 compoundsacetamidesacetanilidesaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamidebenzenesulfonyl groupvinylogous amideacylaminobenzoic acid or derivativesbenzenesulfonamideaminosulfonyl compoundacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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