| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:11 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188050 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO9 |
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| Molecular Mass | 369.106 |
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| SMILES | CC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(C)=O)c1 |
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| InChI Key | FQRURZGKELQWMM-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesacetanilidesacetophenonesalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonen-acetylarylaminearomatic heteromonocyclic compoundbenzoylo-glucuronidemonosacchariden-arylamidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundacetophenoneorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesacetanilidehydroxy acidcarboxamide groupphenylketoneanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketonearyl ketone |
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