| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:13 UTC |
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| Update Date | 2025-03-21 18:41:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134549 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C14H14N2O5S |
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| Molecular Mass | 322.0623 |
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| SMILES | NS(=O)(=O)c1ccc(NCc2ccc(O)cc2)c(C(=O)O)c1 |
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| InChI Key | HTDNLCJXPUCDMQ-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupvinylogous amidebenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminephenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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