| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:59 UTC |
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| Update Date | 2025-03-21 18:38:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122342 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C6H10N2O4S |
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| Molecular Mass | 206.0361 |
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| SMILES | NCCc1cc(OS(=O)(=O)O)c[nH]1 |
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| InChI Key | KIPISURVGUNOQP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteraromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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