| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:11 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6N2O3S |
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| Molecular Mass | 198.0099 |
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| SMILES | O=S(=O)(O)c1cccc2c[nH]nc12 |
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| InChI Key | ZOKUJQYNWMSFJF-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 | benzopyrazoles |
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| Subclass | indazoles |
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| Direct Parent | indazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspyrazolessulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundazacycleindazoleheteroaromatic compoundorganosulfonic acidorganosulfur compoundpyrazoleorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazoleazole |
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