| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:15 UTC |
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| Update Date | 2025-03-25 00:46:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO5S2 |
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| Molecular Mass | 258.9609 |
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| SMILES | O=c1sc2ccccc2nc1OS(=O)(=O)O |
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| InChI Key | ILEGBKZYGUPFKZ-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 | benzothiazines |
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| Subclass | benzothiazines |
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| Direct Parent | benzothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidscarbothioic s-lactonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | carbothioic s-lactonesulfuric acid monoesterorganic sulfuric acid or derivativesazacycleheteroaromatic compoundbenzothiazineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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