| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:04 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O10 |
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| Molecular Mass | 426.1274 |
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| SMILES | COc1ccc(CC2CNC(=O)NC2=O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | MSAVLNAYVSYKBW-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 acidsdiazinanesdicarboximidesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyrimidonessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidepyrimidonealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronide1,3-diazinanebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compounddicarboximideoxaneureideorganoheterocyclic compoundalcoholn-acyl ureacarbonic acid derivativepyran carboxylic acid or derivativesazacyclehydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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