| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:35 UTC |
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| Update Date | 2025-03-25 00:57:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO9 |
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| Molecular Mass | 355.0903 |
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| SMILES | NC(=O)CC(=O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | CLHFRNDMLJYKOW-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 | acetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidsfatty amidesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary carboxylic acid amidespyran carboxylic acidssecondary alcohols |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundfatty amidebenzoylo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupphenylketoneoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketonearyl ketone |
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