| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:57 UTC |
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| Update Date | 2025-03-25 00:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25NO9 |
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| Molecular Mass | 411.1529 |
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| SMILES | COc1ccc(CC2CCC(=O)O2)cc1OC1OC(O)C(O)C(O)C1NC(C)=O |
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| InChI Key | QAHHWPKUWXEJQB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsacetamidesalkyl aryl etherscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamide1,2-diolalcoholtetrahydrofurancarboxamide groupmethoxybenzenegamma butyrolactoneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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