| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:59 UTC |
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| Update Date | 2025-03-21 18:38:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119939 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C17H21NO12 |
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| Molecular Mass | 431.1064 |
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| SMILES | COc1cc(CC(NC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(=O)O)ccc1O |
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| InChI Key | JAQZVYHWRCBHIX-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersalpha amino acidsanisolesbeta hydroxy acids and derivativescarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonosaccharideso-glucuronidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acido-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholtyrosine or derivativesmethoxylated amphetaminemethoxybenzeneanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxideorganopnictogen compoundamphetamine or derivativescarbonic acid derivativepyran carboxylic acid or derivativescarbamic acid esterhydroxy acidoxacyclephenylalanine or derivativesorganic oxygen compoundpyransecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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