| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:15 UTC |
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| Update Date | 2025-03-21 18:36:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110960 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C14H16O11 |
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| Molecular Mass | 360.0693 |
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| SMILES | COc1cc(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1C(=O)O |
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| InChI Key | GBWGIWYYSOYQKG-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-methoxybenzoic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenolbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidmethoxybenzenehydroxybenzoic acidoxacyclepyrananisolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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