| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177696 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO9S |
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| Molecular Mass | 401.0781 |
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| SMILES | COc1cc(C2NC(=O)CS2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | OSBGPXVHCKHQJE-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 | acetalsalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersglucuronic acid derivativeshydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesthiazolidines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycledialkylthioetherhydroxy acidcarboxamide groupmethoxybenzeneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthioetherpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundthiazolidine |
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