| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:22 UTC |
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| Update Date | 2025-03-21 18:41:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132661 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C12H16N2O5S |
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| Molecular Mass | 300.078 |
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| SMILES | CC(=O)N1CCN(c2ccccc2OS(=O)(=O)O)CC1 |
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| InChI Key | TYIRPINOSWSMOH-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundarylsulfatedialkylarylaminetertiary amineacetamideorganic sulfuric acid or derivativesazacycleaniline or substituted anilinescarboxamide groupphenylpiperazineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminen-arylpiperazineorganooxygen compound |
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