| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:17 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160816 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N4O3S |
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| Molecular Mass | 266.0474 |
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| SMILES | Nc1ncc(-c2ccc(S(=O)(=O)O)cc2)c(N)n1 |
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| InChI Key | VANUXGSMJSCBEW-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminespyrimidines and pyrimidine derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativesaromatic heteromonocyclic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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