| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:40 UTC |
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| Update Date | 2025-03-21 18:29:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078206 |
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| Frequency | 37.4 |
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| Structure | |
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| Chemical Formula | C15H16O12 |
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| Molecular Mass | 388.0642 |
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| SMILES | O=C(O)CC(=O)c1c(O)cc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ZHVSIFYZJNZTJE-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acidspyran carboxylic acidsresorcinolssecondary alcoholsvinylogous acids |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compound3-phenylpropanoic-acidbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-keto acidresorcinolketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidphenylketoneoxacyclevinylogous acidpyranketo acidsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketonearyl ketone |
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