| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:58 UTC |
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| Update Date | 2025-03-21 17:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019714 |
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| Frequency | 206.8 |
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| Structure | |
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| Chemical Formula | C18H21NO11 |
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| Molecular Mass | 427.1115 |
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| SMILES | COc1cc(C=CC(=O)NCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
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| InChI Key | CPGMSZHEEBIKHK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersalpha amino acidsalpha-amino acyl ester of carbohydratesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acido-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholalpha-amino acid estermethoxybenzenen-acylglycinesecondary carboxylic acid amideanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganopnictogen compoundpyran carboxylic acid or derivativeshydroxy acidcarboxamide grouphydroxycinnamic acidoxacycleorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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