| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:33 UTC |
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| Update Date | 2025-03-25 01:00:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241367 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO7S |
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| Molecular Mass | 317.0569 |
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| SMILES | CC(=O)NC1Cc2c(O)cc(O)cc2CC1OS(=O)(=O)O |
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| InChI Key | SLHAHTIPRUENKL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | tetralinsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esteracetamideorganooxygen compound |
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