| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:15 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O6S |
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| Molecular Mass | 264.0416 |
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| SMILES | O=C(CCCc1c[nH]cn1)OCOS(=O)(=O)O |
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| InChI Key | SQLSWZLWXHHPHS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideimidazolealkyl sulfateorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazoleorganic sulfuric acid or derivativesazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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