| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:49 UTC |
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| Update Date | 2025-03-21 18:36:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109921 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C18H20O12 |
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| Molecular Mass | 428.0955 |
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| SMILES | O=C1CCC(Cc2cc(O)c(C(=O)O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)O1 |
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| InChI Key | UTPTTZARPWNUKU-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssalicylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivativesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativessalicylic acidcarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxybenzoic acidoxacyclevinylogous acidsalicylic acid or derivativespyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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