| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:32 UTC |
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| Update Date | 2025-03-25 00:48:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O4S |
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| Molecular Mass | 309.0783 |
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| SMILES | CC(C)c1nn(-c2ccc(S(N)(=O)=O)cc2)cc1C(=O)O |
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| InChI Key | QKGKLPDBSVFYQP-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 compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesvinylogous amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupvinylogous amidebenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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