| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:10 UTC |
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| Update Date | 2025-03-25 00:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233650 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27NO9 |
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| Molecular Mass | 425.1686 |
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| SMILES | C=CCc1ccc(OC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)cc1 |
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| InChI Key | GDEBSMRIGUZYOL-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidshydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenoxyacetic acid derivativesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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