| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:03 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176326 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23N3O6S |
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| Molecular Mass | 421.1308 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OS(=O)(=O)O)cc2)CC1 |
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| InChI Key | HFIFTSVCJFTAGM-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesmonoalkylaminesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatedialkylarylaminetertiary amineamphetamine or derivativesorganic sulfuric acid or derivativesalpha-amino acid amideazacycleaniline or substituted anilinescarboxamide groupphenylpiperazineorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminen-arylpiperazineorganooxygen compound |
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