| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:11 UTC |
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| Update Date | 2025-03-21 18:33:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098526 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C19H23NO12 |
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| Molecular Mass | 457.122 |
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| SMILES | COc1cc(C=CC(=O)NCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | SFQWFZBYYQKWFT-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 | acetalsalkyl aryl ethersalpha amino acidsalpha-amino acyl ester of carbohydratesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxyphenolsmonosaccharideso-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 amidem-dimethoxybenzeneanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compoundalkyl aryl etherhydroxycinnamic acid or derivativesdimethoxybenzenecinnamic 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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