| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:24 UTC |
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| Update Date | 2025-03-25 00:55:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211520 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO7S |
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| Molecular Mass | 343.0726 |
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| SMILES | CC(=O)Nc1ccccc1SC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | LFCFLQXFHQHBNZ-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 | s-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesaryl thioethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groups-glucuronidecarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundmonosacchariden-arylamideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidaryl thioetherbeta-hydroxy acidorganic oxide1-s-glucuronideorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativessulfenyl compoundacetanilidehydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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