| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:50 UTC |
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| Update Date | 2025-03-21 18:35:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107498 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C13H19NO6S |
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| Molecular Mass | 317.0933 |
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| SMILES | CCN(CC)CCOC(=O)c1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | YPUDSQJJCPUBQY-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 | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteramino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminebenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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