| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:39 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205033 |
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| Frequency | 0.5 |
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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(CN2CCCC2)ccc1O |
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| InChI Key | GANDWAIVULCDQW-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 benzenoidsaralkylaminesazacyclic compoundsbenzylamineshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylmethylaminessulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidaralkylaminephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminephenylmethylamineorganic oxygen compoundbenzylaminesulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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