| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:56 UTC |
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| Update Date | 2025-03-21 18:34:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102828 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C15H20O7 |
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| Molecular Mass | 312.1209 |
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| SMILES | CCc1ccc(OC2OC(C(=O)O)C(CO)C(O)C2O)cc1 |
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| InChI Key | PVWWWZPODQDSPF-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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