| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:07 UTC |
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| Update Date | 2025-03-21 18:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034008 |
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| Frequency | 106.1 |
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| Structure | |
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| Chemical Formula | C15H14O11 |
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| Molecular Mass | 370.0536 |
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| SMILES | O=C(O)C1OC(Oc2cc(=O)c3c(O)cc(O)cc3o2)C(O)C(O)C1O |
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| InChI Key | PFSGJLBJDPRNPS-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonescoumarins and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acidsvinylogous esters |
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| Substituents | carbonyl groupcarboxylic acid1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesvinylogous esterheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcoumarinoxacyclevinylogous acidmonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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