| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:26 UTC |
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| Update Date | 2025-03-25 01:00:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241081 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO13S |
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| Molecular Mass | 481.089 |
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| SMILES | CC(=O)NC1C(OCOC(=O)Cc2ccc(O)c(O)c2)OC(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | BWYFVJFVCBQOHR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacetamidesalkyl sulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalalkyl sulfateorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid ester |
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