| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:39 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135536 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C11H15NO5S |
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| Molecular Mass | 273.0671 |
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| SMILES | O=S(=O)(O)Oc1cc(CC2CCCN2)ccc1O |
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| InChI Key | DSJDWPYLVZBJQZ-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidinessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary amineorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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