| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:16 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154131 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21NO11 |
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| Molecular Mass | 439.1115 |
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| SMILES | COc1cc(CC2CC(=O)NC2=O)ccc1OC1OC(C(=O)O)C(C(=O)O)C(O)C1O |
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| InChI Key | CFAPCRBRQKGEDD-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboximidesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyrrolidine-2-onessecondary alcohols |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidcarboxylic acid imide, n-unsubstitutedbeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compounddicarboximideoxanepyrrolidinepyrrolidoneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidmethoxybenzenecarboxylic acid imideoxacyclepyrananisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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