| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:07 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235886 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25NO10 |
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| Molecular Mass | 439.1478 |
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| SMILES | COc1cc(CC2NC(=O)C(C)=C2C)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O |
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| InChI Key | TWGUAQKHELUBHQ-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 acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyrrolinessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupmethoxybenzeneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolinepyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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