| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:35 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO6S |
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| Molecular Mass | 301.062 |
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| SMILES | O=C(O)C1CNCC1Cc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | SXXMMHUIBHXBGT-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrrolidine carboxylic acidssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylsulfateorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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