| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:29 UTC |
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| Update Date | 2025-03-21 18:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030094 |
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| Frequency | 123.7 |
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| Structure | |
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| Chemical Formula | C16H15N3O2S |
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| Molecular Mass | 313.0885 |
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| SMILES | Cc1ccc(-c2ccnn2-c2ccc(S(N)(=O)=O)cc2)cc1 |
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| InChI Key | PMPHNGFDAOJMDD-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 compoundsorganopnictogen compoundsorganosulfonamidestoluenes |
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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 compoundtoluene |
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