| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:54 UTC |
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| Update Date | 2025-03-25 01:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O3S |
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| Molecular Mass | 281.0834 |
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| SMILES | CC(C)c1cc(O)n(-c2ccc(S(N)(=O)=O)cc2)n1 |
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| InChI Key | BBNLSFPEKCGTJE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | phenylpyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundorganosulfur compoundorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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