| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:36 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197985 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O11 |
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| Molecular Mass | 412.1006 |
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| SMILES | O=C(O)CC1OC(=O)C1Cc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | GBDQRYSNYBYMRE-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 | acetalsbeta hydroxy acids and derivativesbeta propiolactonescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesoxetanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidbeta_propiolactoneoxacyclepyrancarboxylic acid esteroxetanesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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