| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:37 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N4O4S |
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| Molecular Mass | 308.0579 |
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| SMILES | Cc1ncc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(N)n1 |
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| InChI Key | PNVHXPYLVOAWCJ-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsaminosulfonyl compoundsazacyclic compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylorganosulfur compoundcarboxylic acid derivativepyrimidineorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidimidolactamorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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