| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:18 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247813 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10N2O4S |
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| Molecular Mass | 290.0361 |
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| SMILES | O=c1[nH]n(-c2ccc(S(=O)(=O)O)cc2)c2ccccc12 |
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| InChI Key | UWQLGMOCBXVCJS-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 heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesindazoleslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspyrazolonessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietylactamorganosulfonic acidbenzenesulfonateorganosulfur compoundphenylpyrazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupvinylogous amide1-sulfo,2-unsubstituted aromatic compoundazacycleindazoleheteroaromatic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazoleorganooxygen compoundpyrazolinone |
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