| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:24 UTC |
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| Update Date | 2025-03-21 18:38:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120926 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C18H16O11 |
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| Molecular Mass | 408.0693 |
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| SMILES | O=C1CCc2c1c1c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc1oc2=O |
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| InChI Key | NOPHYQBTNRNYGE-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidscoumarins and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidaryl alkyl ketone1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidketonelactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcoumarinoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
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