| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:07 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149072 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO8S |
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| Molecular Mass | 387.0988 |
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| SMILES | CSCCC(=O)Nc1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | UPNCORYBMOZTEQ-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsanilidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosacchariden-arylamideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compounddialkylthioetherhydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthioetherpyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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